Geometry & MOs

Info

ID:	1567
PubChem CID:	4703
Reduced:	SO2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	194.040151
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	5.16
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C(=O)O)S

DOS

IR

Vibrations