8-Ethyl-N-{(2S,3R)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-1-Phenyl-2-Butanyl}-1-Methyl-3,4,7,8-Tetrahydro-1H,6H-[1,2,5]Thiadiazepino[5,4,3-De]Quinoxaline-10-Carboxamide 2,2-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C32H41N5O5S |
| IUPAC Name | 8-ethyl-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide |
| Molecular Mass | 607.763 g·mol−1 |
| Heat of Formation | -541.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.88 ± 1.08 D |
| Volume | 724.96 Å 3 |
| Surface Area | 577.57 Å 2 |
| HOMO Energy | -7.88 ± 0.55 eV |
| LUMO Energy | 3.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UKAHVQYVCSVAKY-BHBYDHKZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |