2-[4-Methoxy-3-({[4-(Trifluoromethyl)Benzoyl]Amino}Methyl)Benzyl]Pentanoic Acid

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Properties Simple | Detailed

Formula C22H24F3NO4
IUPAC Name (2s)-2-[[4-methoxy-3-[[[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]pentanoic acid
Molecular Mass 423.425 g·mol−1
Heat of Formation -1320.0 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 494.67 Å 3
Surface Area 430.12 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey BEXZWJKLLDXOCX-INIZCTEOSA-N
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