7-(1,3-Dithiolan-2-Ylmethyl)-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C11H15N4O2S2
IUPAC Name 7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 299.392 g·mol−1
Heat of Formation -157.4 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 326.01 Å 3
Surface Area 285.52 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey HWCRLDMPSSMOJX-UHFFFAOYSA-P
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