3,7-Dihydropurine-1,9-Diium-5-Ide-2-Thione

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Formula C5H5N4S
IUPAC Name 3,7-dihydropurine-1,9-diium-5-ide-2-thione
Molecular Mass 153.185 g·mol−1
Heat of Formation 349.2 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 162.6 Å 3
Surface Area 165.68 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry Cs
InChIKey LMDGYPSNSUPTLZ-UHFFFAOYSA-O
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Elements H S C N