Geometry & MOs

Info

ID:	166947
PubChem CID:	74758095
Reduced:	Cl2N3O7H11C17 (1)
Stoich.:	A2B3C7D11E17 (1)
Weight, g/mol:	420.072429
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	3.6
IP(EA), eV:	-9.72(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations