5-[5-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Sulfonyl-2-Ethoxy-Phenyl]-1-Methyl-7-(3-Methyl-5-Nitro-Imidazol-1-Ium-4-Id-4-Yl)Sulfanyl-3-Propyl-Pyrazolo[4,3-D]Pyrimidine-4,6-Diium-7A-Ide
Properties
| Property | Value |
|---|---|
| Formula | C27H35N9O5S2 |
| IUPAC Name | 5-[5-[(3r,5s)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-7-(3-methyl-5-nitro-imidazol-1-ium-4-id-4-yl)sulfanyl-3-propyl-pyrazolo[4,3-d]pyrimidine-4,6-diium-7a-ide |
| Molecular Mass | 629.754 g·mol−1 |
| Heat of Formation | -11.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.74 ± 1.08 D |
| Volume | 726.31 Å 3 |
| Surface Area | 530.61 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -1.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OBBIHRILZPNAMX-CALCHBBNSA-N |
| 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 |