N-{3-[5-Hydroxy-2-(3-Methylbutyl)-3-Oxo-6-(2-Thienyl)-2,3-Dihydro-4-Pyridazinyl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C21H23N5O6S3 |
| IUPAC Name | n-[3-(5-hydroxy-2-isopentyl-3-oxo-6-thiophen-1-ium-2-ylium-2-yl-pyridazin-2-ium-4-id-4-yl)-1,1-dioxo-2h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide |
| Molecular Mass | 537.632 g·mol−1 |
| Heat of Formation | -625.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.93 ± 1.08 D |
| Volume | 569.95 Å 3 |
| Surface Area | 492.17 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | 1.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UNKTYNIAIAATDF-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |