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Vinyl mercaptan occurs in two conformers, the
higher energy anti conformer and the syn
conformer, which is about 60 K (or
42 cm–1) lower in energy.
The experimental transition frequencies were
taken from
(1) M.-A. Martin-Drumel, K. L. K. Lee, A. Belloche,
O. Zingsheim, S. Thorwirth, H. S. P. Müller,
F. Lewen, R. T. Garrod, K. M. Menten, M. C. McCarthy,
and S. Schlemmer,
2019 Astron. Astrophys. 623, Art. No. A167.
The energy difference was calculated in (1).
Predicted transition frequencies should be sufficient
for all observational purposes, but should be viewed
with caution if the uncertainties exceed 0.2 MHz.
The partition functions takes into consideration only
the ground vibrational states of both conformers.
Individual contributions are available. Vibrational correction
factors should be available in the future.
The dipole moment components were reported in
(2) M. Tanimoto and J. N. Macdonald,
1979 J. Mol. Spectrosc. 78, 106.
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