Geometry & MOs

Info

ID:	82637
PubChem CID:	49856270
Reduced:	NI4O4H29C35 (1)
Stoich.:	AB4C4D29E35 (1)
Weight, g/mol:	818.7336
ΔH_f, kcal/mol:	45.96
Dipole, Da:	4.06
IP(EA), eV:	-8.89(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C(C1=CC=CC=C1)(C2=CC=CC=C2)NC(CC3=CC(=C(C(=C3)I)OC4=CC(=C(C(=C4)I)O)I)I)C(=O)O

DOS

IR

Vibrations