1-(2-{[4-(3-Chlorophenyl)-3-Cyano-5-{2-[(3-Hydroxyphenyl)Amino]-4-Pyrimidinyl}-2-Thienyl]Amino}Ethyl)Piperidinium

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Formula C28H27ClN6OS
IUPAC Name 4-(3-chlorophenyl)-5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-[2-(1-piperidyl)ethylamino]thiophene-3-carbonitrile
Molecular Mass 531.072 g·mol−1
Heat of Formation 338.1 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 613.54 Å 3
Surface Area 504.98 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey PNULACZBCYZZLG-UHFFFAOYSA-N
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