5-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Phenyl]-1-Methyl-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidine-1,6-Diium-3A-Ylium-7-Thione
Properties
| Property | Value |
|---|---|
| Formula | C23H39N6O3S2+ |
| IUPAC Name | (3s,3as,5r,7as)-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-4-ium-7-thione |
| Molecular Mass | 511.724 g·mol−1 |
| Heat of Formation | -119.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.89 ± 1.08 D |
| Volume | 593.01 Å 3 |
| Surface Area | 487.62 Å 2 |
| HOMO Energy | -8.16 ± 0.55 eV |
| LUMO Energy | 1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HQTQTMNULFDBOW-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |