(5β,6β)-17-Methyl-6-[(5-Nitro-2-Pyridinyl)Disulfanyl]-4,5-Epoxymorphinan-3-Ol
Properties
| Property | Value |
|---|---|
| Formula | C22H23N3O4S2 |
| IUPAC Name | (3r,4r,4ar,7r,7as,12bs)-3-methyl-7-[(5-nitropyridin-1-ium-5-id-2-yl)disulfanyl]-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol |
| Molecular Mass | 457.566 g·mol−1 |
| Heat of Formation | 52.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.15 ± 1.08 D |
| Volume | 500.7 Å 3 |
| Surface Area | 407.86 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | 1.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RAEKUJQUZFRYFZ-RDZNZOMASA-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 |