(3R,4R)-N-(4-Chlorophenyl)-N'-[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]-1-Sulfamoyl-3,4-Pyrrolidinedicarboxamide

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Properties Simple | Detailed

Formula C23H21ClFN5O5S+
IUPAC Name (1s,3r,4r)-n4-(4-chlorophenyl)-n3-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-sulfamoyl-pyrrolidine-3,4-dicarboxamide
Molecular Mass 533.960 g·mol−1
Heat of Formation -743.0 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 565.49 Å 3
Surface Area 493.78 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-n'-(4-chlorophenyl)-n-[2-fluoro-4-(2-keto-1-pyridyl)phenyl]-1-sulfamoyl-pyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chlorophenyl)-n-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-sulfamoyl-pyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chlorophenyl)-n-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-sulfamoylpyrrolidine-3,4-dicarboxamide
  • (3r,4r)-n'-(4-chlorophenyl)-n-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-1-sulfamoyl-pyrrolidine-3,4-dicarboxamide
InChIKey GYWPDZGVFZEVMA-ROUUACIJSA-N
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