1,3-Dimethyl-7-(1,3-Thiazolidin-2-Ylmethyl)-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C11H16N5O2S
IUPAC Name 1,3-dimethyl-7-[[(2s)-thiazolidin-2-yl]methyl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 282.342 g·mol−1
Heat of Formation -165.9 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 311.32 Å 3
Surface Area 275.74 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey SYXXIOHDIHFIDC-SSDOTTSWSA-N
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