Diphenylmethyl (4S,7S,12Br)-7-{[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]Amino}-6-Oxo-1,2,3,4,6,7,8,12B-Octahydropyrido[2,1-A][2]Benzazepine-4-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C40H42N2O5 |
| IUPAC Name | benzhydryl (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[2,1-a][2]benzazepine-4-carboxylate |
| Molecular Mass | 630.772 g·mol−1 |
| Heat of Formation | -547.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.77 ± 1.08 D |
| Volume | 771.06 Å 3 |
| Surface Area | 568.58 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | 3.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | URWBECZAEJDEIE-IYKITFJXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |