Geometry & MOs

Info

ID:	12964
PubChem CID:	219190
Reduced:	I2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	505.88759
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	3.77
IP(EA), eV:	-9.52(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=CC2=CC(=C(C(=C2)I)O)I)C(=O)O

DOS

IR

Vibrations