N-{3-[(5S)-1-(4-Fluoro-3-Methylbenzyl)-4-Hydroxy-5-(2-Methyl-2-Butanyl)-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]-1,1-Dioxido-4H-1,4-Benzothiazin-7-Yl}Methanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C26H30FN3O6S2 |
| IUPAC Name | n-[3-[(2s)-2-(1,1-dimethylpropyl)-1-[(4-fluoro-3-methyl-phenyl)methyl]-3-hydroxy-5-oxo-2h-pyrrol-4-yl]-1,1-dioxo-4h-1λ6,4-benzothiazin-7-yl]methanesulfonamide |
| Molecular Mass | 563.661 g·mol−1 |
| Heat of Formation | -1021.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.48 ± 1.08 D |
| Volume | 623.23 Å 3 |
| Surface Area | 512.43 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -1.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FIWSMJXHIVIUAK-XMMPIXPASA-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 |