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
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Synonyms
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- (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
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InChIKey |
DCASRSISIKYPDD-AWEZNQCLSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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