Geometry & MOs

Info

ID:	82640
PubChem CID:	49856274
Reduced:	NI4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	692.837
ΔH_f, kcal/mol:	-56.94
Dipole, Da:	3.68
IP(EA), eV:	-9.03(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations