Geometry & MOs

Info

ID:	13039
PubChem CID:	220247
Reduced:	SO4C6H12 (1)
Stoich.:	AB4C6D12 (1)
Weight, g/mol:	180.04563
ΔH_f, kcal/mol:	-193.76
Dipole, Da:	6.42
IP(EA), eV:	-10.48(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-methylsulfonylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations