N'-{(1R,2S)-3-(3,5-Difluorophenyl)-1-[(2R,4S)-4-Ethoxy-2-Piperidinyl]-1-Hydroxy-2-Propanyl}-5-Methyl-N,N-Dipropylisophthalamide

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Properties Simple | Detailed

Formula C31H43F2N3O4
IUPAC Name n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-[(2r,4s)-4-ethoxy-2-piperidyl]-2-hydroxy-ethyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 559.688 g·mol−1
Heat of Formation -1162.7 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 715.95 Å 3
Surface Area 568.34 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey JWYOKBPWLVCFKU-ICYKMPLBSA-N
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