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Optimized structures of the keto-oxime (left), keto-hydroxylamine (middle), and hydroxyl-oxime (right) tautomers of molnupiravir, obtained by using the B3LYP/6-311++G(d,p) method. Cyan dashed line = O–H∙∙∙O, O–H∙∙∙N and N–H∙∙∙O hydrogen bonds.
