(3R,4R)-N-(4-Chloro-3-Fluorophenyl)-N'-[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]-1-(Methylsulfonyl)-3,4-Pyrrolidinedicarboxamide

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Properties Simple | Detailed

Formula C24H21ClF2N4O5S
IUPAC Name (1r,3r,4r)-n4-(4-chloro-3-fluoro-phenyl)-n3-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-methylsulfonyl-pyrrolidine-3,4-dicarboxamide
Molecular Mass 550.962 g·mol−1
Heat of Formation -965.8 ± 16.7 kJ·mol−1
Dipole Moment 10.54 ± 1.08 D
Volume 576.33 Å 3
Surface Area 500.58 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-n'-(4-chloro-3-fluoro-phenyl)-n-[2-fluoro-4-(2-keto-1-pyridyl)phenyl]-1-mesyl-pyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chloro-3-fluoro-phenyl)-n-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-methylsulfonyl-pyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chloro-3-fluoro-phenyl)-n-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-1-methylsulfonyl-pyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chloro-3-fluorophenyl)-n-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-methylsulfonylpyrrolidine-3,4-dicarboxamide
InChIKey XRNMSDIWHHURFN-IRXDYDNUSA-N
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