Geometry & MOs

Info

ID:	82477
PubChem CID:	49856081
Reduced:	O5C21H22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	664.8057
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	5.23
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)OC)O

DOS

IR

Vibrations