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. 2022 Jan 28;23(3):1508. doi: 10.3390/ijms23031508

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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The calculated IR (black) and Raman (red) spectra of the keto-oxime (left), keto-hydroxylamine (middle), and hydroxyl-oxime (right) tautomers of molnupiravir, obtained by using the DFT/B3LYP/6-311++G(d,p) method.