Geometry & MOs

Info

ID:	8782
PubChem CID:	81416
Reduced:	SO2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	218.134051
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	3.72
IP(EA), eV:	-8.89(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCSCCC(=O)O

DOS

IR

Vibrations