2-Amino-7-(2-Hydroxyethyl)-8-Sulfanyl-1H-Purine-3,9-Diium-5-Id-6-One

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Formula C7H10N5O2S
IUPAC Name 2-amino-7-(2-hydroxyethyl)-8-sulfanyl-1h-purine-3,9-diium-5-id-6-one
Molecular Mass 228.252 g·mol−1
Heat of Formation -113.2 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 244.44 Å 3
Surface Area 229.78 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey IVRJBEJHHCGWNV-UHFFFAOYSA-O
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