3-{5-[(4S)-2-Amino-1,4-Dimethyl-6-Oxo-1,4,5,6-Tetrahydro-4-Pyrimidinyl]-3-Thienyl}Benzonitrile

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Formula C17H16N4OS
IUPAC Name 3-[5-[(4s)-2-imino-1,4-dimethyl-6-oxo-hexahydropyrimidin-4-yl]-3-thienyl]benzonitrile
Molecular Mass 324.400 g·mol−1
Heat of Formation 212.9 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 382.08 Å 3
Surface Area 329.87 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey MLNWGLXMDFUREO-KRWDZBQOSA-N
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