(5S)-1-Benzyl-3-(1,1-Dioxido-1,2-Benzothiazol-3-Yl)-4-Hydroxy-5-Isopropyl-1,5-Dihydro-2H-Pyrrol-2-One
Properties
| Property | Value |
|---|---|
| Formula | C21H20N2O4S |
| IUPAC Name | (2s)-1-benzyl-4-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-hydroxy-2-isopropyl-2h-pyrrol-5-one |
| Molecular Mass | 396.459 g·mol−1 |
| Heat of Formation | -325.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.37 ± 1.08 D |
| Volume | 452.73 Å 3 |
| Surface Area | 377.38 Å 2 |
| HOMO Energy | -9.63 ± 0.55 eV |
| LUMO Energy | -1.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XKOAFAIRGVAHRA-IBGZPJMESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |