Geometry & MOs

Info

ID:	261259
PubChem CID:	103224448
Reduced:	SO5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	250.087495
ΔH_f, kcal/mol:	-197.1
Dipole, Da:	4.95
IP(EA), eV:	-10.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)C(COC)C(=O)O

DOS

IR

Vibrations