6-(Methylsulfinyl)-7H-Purine

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Properties Simple | Detailed

Formula C6H6N4OS
IUPAC Name 6-[(s)-methylsulfinyl]purin-7-ium
Molecular Mass 182.203 g·mol−1
Heat of Formation 165.6 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 190.63 Å 3
Surface Area 186.45 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey DDCCWMSPQCHVQV-LBPRGKRZSA-N
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