Geometry & MOs

Info

ID:	338842
PubChem CID:	127259853
Reduced:	OSC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	314.097666
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	1.32
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butylphenyl)sulfanylcarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2

DOS

IR

Vibrations