(5Ar,5Bs,7As,8S,10As,10Br)-5A,7A-Dimethyl-2-Oxo-2,3,4,5,5A,5B,6,7,7A,8,9,10,10A,10B,11,12-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-D]Azepin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenoxy}Acetate
Properties
| Property | Value |
|---|---|
| Formula | C31H42Cl2N2O4 |
| IUPAC Name | [(1s,3as,3br,10ar,10bs,12as)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1h-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate |
| Molecular Mass | 577.582 g·mol−1 |
| Heat of Formation | -768.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.85 ± 1.08 D |
| Volume | 690.43 Å 3 |
| Surface Area | 547.93 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 2.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXVAGWWNINMAJN-DIUBKPNJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |