(1S,5S,6R,9S,15E,20R)-5-Hydroxy-6-Isopropenyl-20-Methyl-2-Oxa-11,12-Dithia-7,19,22-Triazabicyclo[7.7.6]Docos-15-Ene-3,8,18,21-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C20H29N3O6S2 |
| IUPAC Name | (1s,5s,6r,9s,15e,20r)-5-hydroxy-6-isopropenyl-20-methyl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone |
| Molecular Mass | 471.591 g·mol−1 |
| Heat of Formation | -1061.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.17 ± 1.08 D |
| Volume | 539.9 Å 3 |
| Surface Area | 386.64 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YDUPENLJIUUIOU-HDXRNPEWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |