(E)-2-(5-Chloro-2-Thienyl)-N-[(3S)-1-{4-[(1S)-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-[(1s)-1-(dimethylamino)ethyl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
Molecular Mass 471.996 g·mol−1
Heat of Formation -438.3 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 523.52 Å 3
Surface Area 435.73 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-(5-chloro-2-thienyl)-n-[(3s)-1-[4-[(1s)-1-dimethylaminoethyl]-2-fluoro-phenyl]-2-keto-pyrrolidin-3-yl]ethenesulfonamide
  • (e)-2-(5-chloro-2-thienyl)-n-[(3s)-1-[4-[(1s)-1-dimethylaminoethyl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
  • (e)-2-(5-chloro-2-thienyl)-n-[(3s)-1-[4-[(1s)-1-dimethylaminoethyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
  • (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-[4-[(1s)-1-dimethylaminoethyl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
  • (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-[4-[(1s)-1-dimethylaminoethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
InChIKey AFDHTIFDRFSZDA-WZMLOTFKSA-N
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Elements C F H Cl O N S