Geometry & MOs

Info

ID:	1573
PubChem CID:	4711
Reduced:	ISO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	307.9368
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	2.09
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodophenyl)-2-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)S)I

DOS

IR

Vibrations