[(4S)-3-Oxo-8-[3-(2-Pyridinylamino)Propoxy]-2-(2,2,2-Trifluoroethyl)-2,3,4,5-Tetrahydro-1H-2-Benzazepin-4-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H24F3N3O4 |
| IUPAC Name | 2-[(4s)-3-oxo-8-[3-(pyridin-1-ium-2-ylamino)propoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1h-2-benzazepin-4-yl]acetic acid |
| Molecular Mass | 451.439 g·mol−1 |
| Heat of Formation | -1201.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.04 ± 1.08 D |
| Volume | 506.58 Å 3 |
| Surface Area | 431.88 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | 2.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PVDGZHKJXXVONO-INIZCTEOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |