(2R)-4-[4-Fluoro-2-(Trifluoromethyl)Phenyl]-2-Methyl-1-{[3-(1H-1,2,4-Triazol-1-Yl)Phenyl]Sulfonyl}Piperazine
Properties
| Property | Value |
|---|---|
| Formula | C20H19F4N5O2S |
| IUPAC Name | (1r,2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]sulfonyl-piperazine |
| Molecular Mass | 469.456 g·mol−1 |
| Heat of Formation | -720.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.25 ± 1.08 D |
| Volume | 501.53 Å 3 |
| Surface Area | 406.1 Å 2 |
| HOMO Energy | -9.39 ± 0.55 eV |
| LUMO Energy | 1.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ALJLAOVBUJZEDK-CQSZACIVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |