3-({5-Cyano-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]-2-Pyrimidinyl}Amino)Benzenesulfonamide

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Formula C16H15N7O2S2
IUPAC Name 3-[[5-cyano-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
Molecular Mass 401.466 g·mol−1
Heat of Formation 185.3 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 429.09 Å 3
Surface Area 388.55 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey SGOFFNQMBSXTRU-UHFFFAOYSA-N
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