(2S)-(2-Chlorophenyl)(6,7-Dihydrothieno[3,2-C]Pyridin-5(4H)-Yl)Acetic Acid

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Formula C15H14ClNO2S
IUPAC Name (2s)-2-(2-chlorophenyl)-2-[(5s)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]acetic acid
Molecular Mass 307.795 g·mol−1
Heat of Formation -167.6 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 343.14 Å 3
Surface Area 296.19 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetic acid
  • (2s)-2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)ethanoic acid
InChIKey DCASRSISIKYPDD-AWEZNQCLSA-N
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Elements C Cl H O N S