2-(2-{4-[(6-Amino-3-Pyridinyl)Sulfonyl]-1-Piperazinyl}-3,3'-Bipyridin-5-Yl)-1,1,1,3,3,3-Hexafluoro-2-Propanol

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Properties Simple | Detailed

Formula C22H20F6N6O3S
IUPAC Name 2-[6-[4-[(6-amino-3-pyridyl)sulfonyl]piperazin-1-yl]-5-(3-pyridyl)-3-pyridyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 562.488 g·mol−1
Heat of Formation -1419.1 ± 16.7 kJ·mol−1
Dipole Moment 9.66 ± 1.08 D
Volume 574.64 Å 3
Surface Area 465.93 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey WSCXEOSPTMGMGQ-UHFFFAOYSA-N
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