4-{[6-Chloro-5-Formyl-2-(Methylsulfanyl)-4-Pyrimidinyl]Amino}Benzenesulfonamide

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Properties Simple | Detailed

Formula C12H11ClN4O3S2
IUPAC Name 4-[(6-chloro-5-formyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzenesulfonamide
Molecular Mass 358.824 g·mol−1
Heat of Formation -208.9 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 363.26 Å 3
Surface Area 333.19 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey KJYFMIWARJDIAU-UHFFFAOYSA-N
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