N-[(2S)-1-{[(3S,4S,7R)-3-Hydroxy-7-Methyl-1-(2-Pyridinylsulfonyl)-2,3,4,7-Tetrahydro-1H-Azepin-4-Yl]Amino}-4-Methyl-1-Oxo-2-Pentanyl]-1-Benzofuran-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C27H32N4O6S |
| IUPAC Name | n-[(1s)-1-[[(3s,4s,7r)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)-2,3,4,7-tetrahydroazepin-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide |
| Molecular Mass | 540.631 g·mol−1 |
| Heat of Formation | -705.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.65 ± 1.08 D |
| Volume | 625.26 Å 3 |
| Surface Area | 506.59 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -0.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IJRITYSDIWFZKF-GBAJDQEWSA-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 |