The name mercaptoethanol refers to 2-mercaptoethanol with OH and SH bound to two different C atoms. The current data set deals with the ground vibrational state of the g'Gg lowest energy conformer. The experimental lines are from
(1) H. A. Bunn, B. J. Esselman, S. Spezzano, P. Caselli, M. Sanz-Novo, I. Jiménez-Serra, V. M. Rivilla, J. Cernicharo, A. Belloche, B. Tercero, J. K. Jørgensen, and R. J. McMahon, 2026, Astrophys. J. 998, Art. No. 212.
Calculations should be sufficiently accurate throughout, transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution.
The dipole moment components were determined by
(2) E.-M. Sung and M. D. Harmony, 1977, J. Am. Chem. Soc. 99, 5603.