4-{[(4-Methyl-6-Oxo-1,6-Dihydro-2-Pyrimidinyl)Sulfanyl]Acetyl}Benzenesulfonamide

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Properties Simple | Detailed

Formula C13H13N3O4S2
IUPAC Name 4-[2-(4-methyl-6-oxo-pyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
Molecular Mass 339.390 g·mol−1
Heat of Formation -456.7 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 364.02 Å 3
Surface Area 334.13 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey UZGWPPSMIYIVBV-UHFFFAOYSA-N
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