(9S)-9-(3-Bromo-4-Fluorophenyl)-2,3,5,6,7,9-Hexahydrothieno[3,2-B]Quinolin-8(4H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C17H15BrFNO3S
IUPAC Name (9s)-9-(3-bromo-4-fluoro-phenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2h-thieno[3,2-b]quinolin-8-one
Molecular Mass 412.273 g·mol−1
Heat of Formation -506.2 ± 16.7 kJ·mol−1
Dipole Moment 11.23 ± 1.08 D
Volume 394.3 Å 3
Surface Area 327.49 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (9s)-9-(3-bromo-4-fluoro-phenyl)-1,1-diketo-3,4,5,6,7,9-hexahydro-2h-thieno[3,2-b]quinolin-8-one
  • (9s)-9-(3-bromo-4-fluoro-phenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2h-thieno[3,2-b]quinolin-8-one
  • (9s)-9-(3-bromo-4-fluorophenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2h-thieno[3,2-b]quinolin-8-one
InChIKey LHVKVMMIMWOYFR-HNNXBMFYSA-N
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Elements C F H O N S Br