4-Ethyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]-8-(2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide

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Properties Simple | Detailed

Formula C34H35F3N4O3
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide
Molecular Mass 604.662 g·mol−1
Heat of Formation -886.6 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 715.67 Å 3
Surface Area 576.24 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey YDNCUOPJVVQEMT-MFMCTBQISA-N
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