Geometry & MOs

Info

ID:	82639
PubChem CID:	49856273
Reduced:	NI3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	818.7336
ΔH_f, kcal/mol:	-79.4
Dipole, Da:	6.15
IP(EA), eV:	-8.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations