Geometry & MOs

Info

ID:	188000
PubChem CID:	77652856
Reduced:	Cl2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	552.177562
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	5.65
IP(EA), eV:	-9.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-chloro-N-(2-morpholin-4-ylethyl)anilino]-4-oxo-3-[[4-(2-oxopyridin-1-yl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)NCC(N2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations