N-(3-Hydroxy-6-Methoxy-17-Methyl-5-Oxo-7,8-Didehydro-18,19-Dihydro-6,14-Ethenomorphinan-18-Yl)-2-(4-Isothiocyanatophenyl)Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C29H29N3O4S |
| IUPAC Name | n-(3-hydroxy-6-methoxy-17-methyl-5-oxo-7,8-didehydro-18,19-dihydro-6,14-ethenomorphinan-18-yl)-2-(4-isothiocyanatophenyl)acetamide |
| Molecular Mass | 515.623 g·mol−1 |
| Heat of Formation | -247.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.12 ± 1.08 D |
| Volume | 595.04 Å 3 |
| Surface Area | 486.91 Å 2 |
| HOMO Energy | -8.59 ± 0.55 eV |
| LUMO Energy | 2.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZYGMFJYHOGVLB-BHBAPUPVSA-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 |