Geometry & MOs

Info

ID:	194246
PubChem CID:	78503654
Reduced:	ClN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	399.098584
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	4.12
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)C(=O)C1=CC=C(C=C1)NC(=O)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations