Geometry & MOs

Info

ID:	438676
PubChem CID:	135228426
Reduced:	INOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	552.9247
ΔH_f, kcal/mol:	9.58
Dipole, Da:	2.69
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-(4-hydroxy-3-iodo-5-methylphenoxy)-3-iodo-5-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC=CC=C2)I)C[C@@H](C)N

DOS

IR

Vibrations