Geometry & MOs

Info

ID:	166946
PubChem CID:	74758094
Reduced:	ClN3O7H14C18 (1)
Stoich.:	AB3C7D14E18 (1)
Weight, g/mol:	438.997405
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	6.38
IP(EA), eV:	-9.53(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations