2-{4-[(2S)-4-[(6-Amino-3-Pyridinyl)Sulfonyl]-2-(1-Propyn-1-Yl)-1-Piperazinyl]Phenyl}-1,1,1,3,3,3-Hexafluoro-2-Propanol

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Properties Simple | Detailed

Formula C21H20F6N4O3S
IUPAC Name 2-[4-[(1r,2s,4r)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 522.464 g·mol−1
Heat of Formation -1389.4 ± 16.7 kJ·mol−1
Dipole Moment 9.28 ± 1.08 D
Volume 545.63 Å 3
Surface Area 429.62 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey SIFKNECWLVONIH-INIZCTEOSA-N
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