7-Ethyl-N-{(2S,3R)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-1-Phenyl-2-Butanyl}-1-Methyl-3,4-Dihydro-1H-[1,2,5]Thiadiazepino[3,4,5-Hi]Indole-9-Carboxamide 2,2-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C32H38N4O5S |
| IUPAC Name | n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-ethyl-9-methyl-10,10-dioxo-10λ6-thia-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide |
| Molecular Mass | 590.733 g·mol−1 |
| Heat of Formation | -546.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.71 ± 1.08 D |
| Volume | 704.49 Å 3 |
| Surface Area | 567.43 Å 2 |
| HOMO Energy | -8.24 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MNGUVHPNHVMEDL-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 |