2-Oxo-6-(Sulfanylmethyl)Hexahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C6H10N2O3S
IUPAC Name (4s,6s)-2-oxo-6-(sulfanylmethyl)hexahydropyrimidine-4-carboxylic acid
Molecular Mass 190.220 g·mol−1
Heat of Formation -551.4 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 211.44 Å 3
Surface Area 202.38 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey QBTQEFMFFFMOJH-IMJSIDKUSA-N
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