Geometry & MOs

Info

ID:	72466
PubChem CID:	48416206
Reduced:	ClN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	2.69
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(4-cyanobenzoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CN=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations