Geometry & MOs

Info

ID:	82638
PubChem CID:	49856272
Reduced:	NI4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	692.837
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	3.03
IP(EA), eV:	-9.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-(propylamino)propanoic acid

Drug info:

PubChemData

Smile

CCCNC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O

DOS

IR

Vibrations