[(E)-N'-(2-Cyanoethynyl)-N-[[8,9-Dicyano-3-(2-Cyanoethynyl)-2-[(2-Cyanoethynylamino)Methyl]-14-[(E)-N-(2-Cyanoethynyl)-C-Methylidyneammonio-Carbonimidoyl]-14-[[[3-[[3-[[[2-Cyanoethynyl(Methylidyneammoniomethyl)Amino]-(2-Cyanoethynylsulfanyl)Methyl]-[[(Z)-1,2-Dicyano-2-Methylidyneammonio-Vinyl]Cuprio]Sulfonio]-2-Isocyanato-Propanoyl]Amino]Prop-2-Ynylamino]Methylamino]Methyl]-2,14-Bis(Methylidyneammonio)-2-(3-Methylidyneammonioprop-1-Ynylamino)-1,10-Dioxa-3,5,7,13-Tetraza-2Λ6,14Λ5-Dicupracyclotetradec-7-En-2-Yl]Methyl]Carbamimidoyl]-Bis(Hydroxymethyl)Copper; 2-Cyanoethynyl(Methylidyne)Ammonium; Formaldehyde
Properties
| Property | Value |
|---|---|
| Formula | C68H57Cu4N32O14S2++++ |
| IUPAC Name | [(e)-n'-(2-cyanoethynyl)-n-[[8,9-dicyano-3-(2-cyanoethynyl)-2-[(2-cyanoethynylamino)methyl]-14-[(e)-n-(2-cyanoethynyl)-c-methylidyneammonio-carbonimidoyl]-14-[[[3-[[3-[[[2-cyanoethynyl(methylidyneammoniomethyl)amino]-(2-cyanoethynylsulfanyl)methyl]-[[(z)-1,2-dicyano-2-methylidyneammonio-vinyl]cuprio]sulfonio]-2-isocyanato-propanoyl]amino]prop-2-ynylamino]methylamino]methyl]-2,14-bis(methylidyneammonio)-2-(3-methylidyneammonioprop-1-ynylamino)-1,10-dioxa-3,5,7,13-tetraza-2λ6,14λ5-dicupracyclotetradec-7-en-2-yl]methyl]carbamimidoyl]-bis(hydroxymethyl)copper; 2-cyanoethynyl(methylidyne)ammonium; formaldehyde |
| Molecular Mass | 1864.700 g·mol−1 |
| Heat of Formation | 5157.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.38 ± 1.08 D |
| Volume | 1865.06 Å 3 |
| Surface Area | 1103.64 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -3.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VAGTZYQVIAJAAN-XZYFOBFYSA-J |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cu S O N |