6-Thioxo-3,7-Dihydropurin-9-Ium-5-Id-2-One

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Formula C5H5N4OS
IUPAC Name 6-thioxo-3,7-dihydropurin-9-ium-5-id-2-one
Molecular Mass 169.184 g·mol−1
Heat of Formation 71.6 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 172.56 Å 3
Surface Area 172.93 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry Cs
InChIKey MJQYIDUYNGXMKP-UHFFFAOYSA-P
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