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 |
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Elements | H S C O N |