[(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

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Properties Simple | Detailed

Formula C68H65Cu4N32O14S2++++
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 1872.764 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
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Elements C Cu S O N