2-Amino-8-[2-(4-Methoxyphenyl)-2-Oxo-Ethyl]Sulfanyl-1,7-Dihydropurine-3,9-Diium-5-Id-6-One

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Formula C14H14N5O3S
IUPAC Name 2-amino-8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,7-dihydropurine-3,9-diium-5-id-6-one
Molecular Mass 332.358 g·mol−1
Heat of Formation -122.7 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 357.8 Å 3
Surface Area 335.51 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey TZIXXCWVLHTFRW-UHFFFAOYSA-O
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