6-Amino-7,9-Dihydropurine-1,3-Diium-5-Ide-8-Thione

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Formula C5H5N5S
IUPAC Name 6-amino-7,9-dihydropurine-1,3-diium-5-ide-8-thione
Molecular Mass 167.192 g·mol−1
Heat of Formation 288.1 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 177.79 Å 3
Surface Area 179.31 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry Cs
InChIKey WCKNQCJMXJGWAD-UHFFFAOYSA-O
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Elements H S C N