3-{[(4-Methyl-6-Oxo-1,6-Dihydro-2-Pyrimidinyl)Sulfanyl]Acetyl}Benzenesulfonamide

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Properties Simple | Detailed

Formula C13H13N3O4S2+
IUPAC Name 3-[2-[(4-methyl-6-oxo-5h-pyrimidin-1-ium-5-id-2-yl)sulfanyl]acetyl]benzenesulfonamide
Molecular Mass 339.390 g·mol−1
Heat of Formation -458.9 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 364.29 Å 3
Surface Area 333.83 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
InChIKey NYRNFJQJOXIJHL-UHFFFAOYSA-N
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