6-Thioxo-7,9-Dihydro-3H-Purine-4,5-Diide-2,8-Dione

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Formula C5H6N4O2S
IUPAC Name 6-thioxo-7,9-dihydro-3h-purine-4,5-diide-2,8-dione
Molecular Mass 186.192 g·mol−1
Heat of Formation -148.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 182.99 Å 3
Surface Area 182.97 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry Cs
InChIKey URXDUHVCIRJCRM-UHFFFAOYSA-Q
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