3-[(2R)-2-Ethoxypropyl]-2-Thioxo-1,2,3,9-Tetrahydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H15N4O2S
IUPAC Name 3-[(2r)-2-ethoxypropyl]-2-thioxo-9h-purin-7-ium-4-id-6-one
Molecular Mass 255.317 g·mol−1
Heat of Formation -127.1 ± 16.7 kJ·mol−1
Dipole Moment 8.62 ± 1.08 D
Volume 298.83 Å 3
Surface Area 253.81 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey QOTIDWBGIWZLOV-ZCFIWIBFSA-Q
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