Geometry & MOs

Info

ID:	194797
PubChem CID:	78590913
Reduced:	Cl2N2O3H12C18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	394.012327
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	7.04
IP(EA), eV:	-9.42(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-nitroanilino)-2-oxoethyl] 3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations