6-Thioxopyrazolo[3,4-D]Pyrimidine-1,2,7-Triium-4-One

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Formula C5H4N4OS
IUPAC Name 6-thioxopyrazolo[3,4-d]pyrimidine-1,2,7-triium-4-one
Molecular Mass 168.176 g·mol−1
Heat of Formation 211.0 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 173.03 Å 3
Surface Area 175.22 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -2.22 ± eV
Point Group Symmetry C1
InChIKey QSVAGENVDLSKQO-UHFFFAOYSA-P
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