Geometry & MOs

Info

ID:	1566
PubChem CID:	4702
Reduced:	SO2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	182.040151
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	3.54
IP(EA), eV:	-9.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations