4-(4-Cyano-2-{[2-(4-Fluoro-1-Naphthyl)Propanoyl]Amino}Phenyl)Butanoic Acid

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Properties Simple | Detailed

Formula C24H21FN2O3
IUPAC Name 4-[4-cyano-2-[[(2s)-2-(4-fluoro-1-naphthyl)propanoyl]amino]phenyl]butanoic acid
Molecular Mass 404.434 g·mol−1
Heat of Formation -485.2 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 475.05 Å 3
Surface Area 373.11 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey MTDIMKNAJUQTIO-HNNXBMFYSA-N
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