Geometry & MOs

Info

ID:	338843
PubChem CID:	127259854
Reduced:	SO3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	328.113316
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	4.98
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-pentylphenyl)sulfanylcarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations