5-[5-[(3S,5R)-3,5-Dimethylpiperazin-1-Yl]Sulfonyl-2-Ethoxy-Phenyl]-1-Methyl-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidine-1,6-Diium-7A-Ylium-7-Thione
Properties
| Property | Value |
|---|---|
| Formula | C23H39N6O3S2+ |
| IUPAC Name | (3r,3ar,5s,7ar)-5-[5-[(3s,5r)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-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 | -165.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.33 ± 1.08 D |
| Volume | 595.56 Å 3 |
| Surface Area | 477.34 Å 2 |
| HOMO Energy | -8.22 ± 0.55 eV |
| LUMO Energy | 1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HOWUGHOBYUDFRL-GINRQUKOSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |