2-({4-[(3R,5S)-3,5-Dimethyl-1-Piperidinyl]-3-Phenoxybenzoyl}Amino)Benzoic Acid

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Properties Simple | Detailed

Formula C27H28N2O4
IUPAC Name 2-[[4-[(3r,5s)-3,5-dimethyl-1-piperidyl]-3-phenoxy-benzoyl]amino]benzoic acid
Molecular Mass 444.522 g·mol−1
Heat of Formation -483.9 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 532.81 Å 3
Surface Area 442.56 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey YMZMFFRGSWCLPY-KDURUIRLSA-N
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