Geometry & MOs

Info

ID:	12713
PubChem CID:	144457
Reduced:	SO2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	148.055801
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	4.9
IP(EA), eV:	-9.17(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCSCCCC(=O)O

DOS

IR

Vibrations