5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy}-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl}-1,2-Dihydro-3H-1,2,4-Triazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C23H21F7N4O3 |
| IUPAC Name | 5-[[(2s,3r,4r)-2-[(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
| Molecular Mass | 534.427 g·mol−1 |
| Heat of Formation | -1638.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.15 ± 1.08 D |
| Volume | 563.22 Å 3 |
| Surface Area | 425.43 Å 2 |
| HOMO Energy | -9.61 ± 0.55 eV |
| LUMO Energy | 1.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ATALOFNDEOCMKK-KNMUDHKVSA-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 |