Geometry & MOs

Info

ID:	278213
PubChem CID:	103834146
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	281.989962
ΔH_f, kcal/mol:	-222.22
Dipole, Da:	6.63
IP(EA), eV:	-9.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)N2CC[C@@H](C2)O)C

DOS

IR

Vibrations