1-(4-{4-[(5S)-5-(2,6-Difluorophenyl)-4,5-Dihydro-1,2-Oxazol-3-Yl]-1,3-Thiazol-2-Yl}-1-Piperidinyl)-2-[5-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Ethanone

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Properties Simple | Detailed

Formula C24H22F5N5O2S
IUPAC Name 1-[4-[4-[(5s)-5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl]-5h-thiazol-1-ium-5-ylium-2-yl]-1-piperidyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]ethanone
Molecular Mass 539.521 g·mol−1
Heat of Formation -800.4 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 577.37 Å 3
Surface Area 495.07 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey IAQLCKZJGNTRDO-IBGZPJMESA-N
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