Pantothenic acid

2D Structure
MF: C9H17NO5
MW: 219.23 g/mol
IUPAC Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Calculated IR and Raman Spectra of Pantothenic acid Calculated IR and Raman Spectra of Pantothenic acid Calculated IR and Raman Spectra of Pantothenic acid Calculated IR and Raman Spectra of Pantothenic acid Calculated IR and Raman Spectra of Pantothenic acid Calculated IR and Raman Spectra of Pantothenic acid

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 6613, Pantothenic acid. https://pubchem.ncbi.nlm.nih.gov/compound/Pantothenic acid. Accessed Apr. 18, 2022.