1-{4-[4-Chloro-3-(Trifluoromethyl)Phenyl]-4-Hydroxy-1-Piperidinyl}-3-Sulfanyl-1-Propanone

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Properties Simple | Detailed

Formula C15H17ClF3NO2S
IUPAC Name 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidyl]-3-sulfanyl-propan-1-one
Molecular Mass 367.814 g·mol−1
Heat of Formation -1042.8 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 392.19 Å 3
Surface Area 338.44 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey STKPEUISNQZVRV-UHFFFAOYSA-N
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Elements C F H Cl O N S