Aspirin Isomer 2a

The conformation about the acid C-O bond is s-trans. The carboxy group is oriented such that the OH group is close to the ester group; E with regard to the Ph-COOH bond. The conformation about the ester C-O bond is s-trans.

Figure. The RHF/6-31G* optimized structure of isomer 2a of aspirin.

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