Geometry & MOs

Info

ID:	264820
PubChem CID:	103493407
Reduced:	ClINO4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	347.00184
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	1.05
IP(EA), eV:	-9.27(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-3-[(2-phenylacetyl)amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)COC1=CC=C(C=C1)Cl)I

DOS

IR

Vibrations