Geometry & MOs

Info

ID:	166945
PubChem CID:	74758093
Reduced:	Cl2F3N3O5H10C17 (1)
Stoich.:	A2B3C3D5E10F17 (1)
Weight, g/mol:	419.052028
ΔH_f, kcal/mol:	-225.15
Dipole, Da:	3.79
IP(EA), eV:	-9.78(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-nitroanilino)-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=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations