{Reference Type}: Journal Article
{Title}: Impact of the Acetyl Group on Cysteine: A Study of N-Acetyl-Cysteine through Rotational Spectroscopy.
{Author}: Mato S;Municio S;Alonso JL;Alonso ER;León I;
{Journal}: Chemphyschem
{Volume}: 25
{Issue}: 15
{Year}: 2024 Aug 1
{Factor}: 3.52
{DOI}: 10.1002/cphc.202400191
{Abstract}: Herein, we report a spectroscopic study of N-acetyl-L-cysteine, an important antioxidant drug, using Fourier-transform microwave techniques and in isolated conditions. Two conformers are observed, where most stable structure adopts a cis disposition, and the second conformer has a lower abundance and adopts a trans disposition. The rotational constants and the barriers to methyl internal rotation are determined for each conformer, allowing a precise conformation identification. The results show that the cis form adopts an identical structure in the crystal, solution, and gas phases. Additionally, the structures are contrasted against those of cysteine.