(3S,7R,8Ar)-2-{(2S)-2-(4,4-Difluorocyclohexyl)-2-[(N-Methyl-L-Alanyl)Amino]Acetyl}-N-[(4R)-3,4-Dihydro-2H-Chromen-4-Yl]-7-Ethoxyoctahydropyrrolo[1,2-A]Pyrazine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C31H45F2N5O5 |
| IUPAC Name | (3s,5s,7r,8ar)-n-[(4r)-chroman-4-yl]-2-[(2s)-2-(4,4-difluorocyclohexyl)-2-[[(2s)-2-(methylamino)propanoyl]amino]acetyl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1h-pyrrolo[1,2-a]pyrazine-3-carboxamide |
| Molecular Mass | 605.716 g·mol−1 |
| Heat of Formation | -1326.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.66 ± 1.08 D |
| Volume | 726.78 Å 3 |
| Surface Area | 570.15 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | 0.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WQLHYSFOEZZZDD-QAPMSZJWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |