Mustard gas

2D Structure
MF: C4H8Cl2S
MW: 159.08 g/mol
IUPAC Name: 1-chloro-2-(2-chloroethylsulfanyl)ethane
Calculated IR and Raman Spectra of Mustard gas Calculated IR and Raman Spectra of Mustard gas Calculated IR and Raman Spectra of Mustard gas Calculated IR and Raman Spectra of Mustard gas Calculated IR and Raman Spectra of Mustard gas Calculated IR and Raman Spectra of Mustard gas

Calculation


Reference

[1] Alex A. Granovsky, Firefly version 8, www http://classic.chem.msu.su/gran/firefly/index.html
[2] M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J.Comput.Chem. 14, 1347-1363 (1993)
[3] H.Yoshida, K.Takeda, J.Okayama, A.Ehara and H.Matsuura, J. Phys. Chem. A 106, 3580 (2002)
[4] National Center for Biotechnology Information. PubChem Compound Summary for CID 10461, Mustard gas. https://pubchem.ncbi.nlm.nih.gov/compound/Mustard gas. Accessed Apr. 18, 2022.