Geometry & MOs

Info

ID:	45650
PubChem CID:	10516051
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-177.78
Dipole, Da:	2.34
IP(EA), eV:	-9.77(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)sulfanylheptanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=C)C)(CC=C)C(=O)OCC

DOS

IR

Vibrations