(3Xi,16β,17Alpha,20Alpha)-N-{2-[4-Amino-3-(~125~I)Iodophenyl]Ethyl}-17-Hydroxyyohimban-16-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C28H33IN4O2 |
| IUPAC Name | (1r,13r,15s,18s,19s,20r)-n-[2-(4-amino-3-iodo-phenyl)ethyl]-18-hydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-4-ylium-19-carboxamide |
| Molecular Mass | 584.492 g·mol−1 |
| Heat of Formation | -183.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.92 ± 1.08 D |
| Volume | 599.08 Å 3 |
| Surface Area | 414.73 Å 2 |
| HOMO Energy | -8.21 ± 0.55 eV |
| LUMO Energy | 2.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UMARCJBKMLPVIC-PPKRMMDBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |