N-{3-[5-Hydroxy-2-(3-Methylbutyl)-3-Oxo-6-(1-Pyrrolidinyl)-2,3-Dihydro-4-Pyridazinyl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C21H28N6O6S2 |
| IUPAC Name | n-[(3z)-3-(2-isopentyl-3,5-dioxo-6-pyrrolidin-1-yl-pyridazin-4-ylidene)-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide |
| Molecular Mass | 524.614 g·mol−1 |
| Heat of Formation | 2198.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.18 ± 1.08 D |
| Volume | 553.89 Å 3 |
| Surface Area | 443.18 Å 2 |
| HOMO Energy | -7.78 ± 0.55 eV |
| LUMO Energy | -1.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QUWPELVBLLLYGL-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |