2-[2-[(1R)-1-[3-(Cyclopropoxy)-4-(Difluoromethoxy)Phenyl]-2-(1-Oxidopiperidine-2,3,4,5,6-Pentaid-3-Yl)Ethyl]Thiazol-3-Ium-5-Id-5-Yl]-1,1,1,3,3,3-Hexafluoro-Propan-2-Ol

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Properties Simple | Detailed

Formula C23H25F8N2O4S+
IUPAC Name 2-[2-[(1r)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopiperidine-2,3,4,5,6-pentaid-3-yl)ethyl]thiazol-3-ium-5-id-5-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 577.508 g·mol−1
Heat of Formation -1847.0 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 575.78 Å 3
Surface Area 439.88 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
InChIKey QJHBWLQOZRJXFL-WPZCJLIBSA-N
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