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

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Properties Simple | Detailed

Formula C25H21ClF4N4O3+
IUPAC Name (1s,3r,4r)-n4-(4-chlorophenyl)-n3-[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
Molecular Mass 536.906 g·mol−1
Heat of Formation -1088.0 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 567.13 Å 3
Surface Area 493.14 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey TYMJFUUUNPEDQB-OALUTQOASA-N
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Elements C Cl H F O N