(E)-2-(5-Chloro-2-Thienyl)-N-[(3S)-1-{4-[(1R)-1-(Dimethylamino)Ethyl]-2-Fluorophenyl}-2-Oxo-3-Pyrrolidinyl]Ethenesulfonamide

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Properties Simple | Detailed

Formula C20H23ClFN3O3S2
IUPAC Name (e)-2-(5-chloro-2-thienyl)-n-[(3s)-1-[4-[(1r)-1-(dimethylamino)ethyl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
Molecular Mass 471.996 g·mol−1
Heat of Formation -438.2 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 522.71 Å 3
Surface Area 438.87 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey AFDHTIFDRFSZDA-IUJLQVPDSA-N
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Elements C F H Cl O N S