4-Thioxopyrazolo[3,4-D]Pyrimidine-1,2,7-Triium-6-One
Properties
| Property | Value |
|---|---|
| Formula | C5H9N4OS+ |
| IUPAC Name | 4-thioxopyrazolo[3,4-d]pyrimidine-1,2,7-triium-6-one |
| Molecular Mass | 173.216 g·mol−1 |
| Heat of Formation | 205.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.51 ± 1.08 D |
| Volume | 172.89 Å 3 |
| Surface Area | 173.44 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -2.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UWMZHSUATGEKMD-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |