Trans-4-({6-[(5-Phenyl-1H-Pyrazol-3-Yl)Amino]-4-(Phenylsulfonyl)-2-Pyridinyl}Amino)Cyclohexanol

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Formula C26H27N5O3S
IUPAC Name 4-[[4-(benzenesulfonyl)-6-[(5-phenyl-4h-pyrazol-1-ium-4-id-3-yl)amino]-2-pyridyl]amino]cyclohexanol
Molecular Mass 489.589 g·mol−1
Heat of Formation -33.7 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 569.14 Å 3
Surface Area 492.36 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey YIGXUZJWVOKKIO-MXVIHJGJSA-N
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