Geometry & MOs

Info

ID:	189106
PubChem CID:	77818910
Reduced:	INOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	487.00473
ΔH_f, kcal/mol:	15.16
Dipole, Da:	4.71
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-chloro-6-(2-iodoethyl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC2=CC(=CC=C2)I)C3=CC=CC=C3

DOS

IR

Vibrations