N-{2-Chloro-5-[(3S,4R)-1-[(3R)-4-(4-Chlorophenyl)-3-Hydroxybutanoyl]-4-(Hydroxymethyl)-3-Pyrrolidinyl]Phenyl}-2-(4-Fluorophenyl)Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H29Cl2FN2O4
IUPAC Name n-[2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxy-butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl]-2-(4-fluorophenyl)acetamide
Molecular Mass 559.456 g·mol−1
Heat of Formation -817.4 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 642.49 Å 3
Surface Area 532.22 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey LMARVLAZWJAMGJ-NQHRYMMQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N