Geometry & MOs

Info

ID:	167438
PubChem CID:	74828790
Reduced:	N2I4O5H10C15 (1)
Stoich.:	A2B4C5D10E15 (1)
Weight, g/mol:	807.6925
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	2.26
IP(EA), eV:	-9.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(C3(NO3)C(=O)O)N

DOS

IR

Vibrations