{4-[(2S)-2-(7-Chloro-1,3-Benzodioxol-5-Yl)-4-Hydroxy-3-(3-Methylbenzoyl)-5-Oxo-2,5-Dihydro-1H-Pyrrol-1-Yl]Phenyl}Acetic Acid

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Properties Simple | Detailed

Formula C27H20ClNO7
IUPAC Name 2-[4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2h-pyrrol-1-yl]phenyl]acetic acid
Molecular Mass 505.903 g·mol−1
Heat of Formation -804.3 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 554.63 Å 3
Surface Area 437.56 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey UREMFAJAZZTMEH-QHCPKHFHSA-N
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Elements H C Cl O N