[1-Cyano-2-(2-Cyanoethynylsulfanyl)Ethyl]Sulfanylmethanolate; Formaldehyde; (8E)-6-(Hydroxymethyl)-1-Oxa-5,8-Diaza-6Λ3-Cupracycloundec-8-Ene-3,9,10-Tricarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C19H20CuN7O4S2 |
| IUPAC Name | [1-cyano-2-(2-cyanoethynylsulfanyl)ethyl]sulfanylmethanolate; formaldehyde; (8e)-6-(hydroxymethyl)-1-oxa-5,8-diaza-6λ3-cupracycloundec-8-ene-3,9,10-tricarbonitrile |
| Molecular Mass | 538.083 g·mol−1 |
| Heat of Formation | 1459.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.35 ± 1.08 D |
| Volume | 532.4 Å 3 |
| Surface Area | 407.52 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | -2.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CHYKOBKORKBVNA-ASLYYHTLSA-L |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O Cu N |