Geometry & MOs

Info

ID:	2098
PubChem CID:	5804
Reduced:	I3O4H11C15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	635.7791
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	4.88
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CCC(=O)O)I)I)O

DOS

IR

Vibrations