Geometry & MOs

Info

ID:	60959
PubChem CID:	26703628
Reduced:	Cl2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	480.1452
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	2.26
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 4-[(2-ethoxybenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations