3-Pentyl-6-(Trifluoromethyl)-3,4-Dihydro-2H-1,2,4-Benzothiadiazine-7-Sulfonamide 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C13H18F3N3O4S2 |
| IUPAC Name | (3s)-1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2h-1λ6,2,4-benzothiadiazine-7-sulfonamide |
| Molecular Mass | 401.425 g·mol−1 |
| Heat of Formation | -1289.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.04 ± 1.08 D |
| Volume | 406.17 Å 3 |
| Surface Area | 358.03 Å 2 |
| HOMO Energy | -9.66 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AKHXXQAIVSMYIS-LBPRGKRZSA-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 |