6-(Ethylamino)-N-{(2S,3R)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-1-Phenyl-2-Butanyl}-1-Methyl-1,3,4,5-Tetrahydro-2,1-Benzothiazepine-8-Carboxamide 2,2-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C31H40N4O5S |
| IUPAC Name | n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-6-(ethylamino)-1-methyl-2,2-dioxo-4,5-dihydro-3h-2λ6,1-benzothiazepine-8-carboxamide |
| Molecular Mass | 580.738 g·mol−1 |
| Heat of Formation | -646.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.99 ± 1.08 D |
| Volume | 697.53 Å 3 |
| Surface Area | 555.85 Å 2 |
| HOMO Energy | -8.36 ± 0.55 eV |
| LUMO Energy | 2.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JAQQVYMOVUUAHB-MFMCTBQISA-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 |