(2S)-3-[5-(3,4-Dichlorophenyl)-1-(4-Methoxyphenyl)-1H-Pyrazol-3-Yl]-2-(3-Methylphenyl)Propanoic Acid

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Formula C26H22Cl2N2O3
IUPAC Name (2s)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-2-id-3-yl]-2-(m-tolyl)propanoic acid
Molecular Mass 481.370 g·mol−1
Heat of Formation -179.7 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 561.16 Å 3
Surface Area 440.78 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid
  • (2s)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
  • (2s)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propionic acid
InChIKey UZCIUKFEIOCAOC-QFIPXVFZSA-N
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Elements H C N O Cl