3-{(5S)-3-Hydroxy-2-Oxo-4-[3-(Trifluoromethyl)Benzoyl]-5-[3-(Trifluoromethyl)Phenyl]-2,5-Dihydro-1H-Pyrrol-1-Yl}Benzoic Acid

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Properties Simple | Detailed

Formula C26H15F6NO5
IUPAC Name 3-[(2s)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2-[3-(trifluoromethyl)phenyl]-2h-pyrrol-1-yl]benzoic acid
Molecular Mass 535.391 g·mol−1
Heat of Formation -1764.1 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 555.45 Å 3
Surface Area 435.1 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey MUBQJGQKNOXGPU-FQEVSTJZSA-N
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Elements H C N O F