Geometry & MOs

Info

ID:	166951
PubChem CID:	74758099
Reduced:	ClF3N3O7H11C18 (1)
Stoich.:	AB3C3D7E11F18 (1)
Weight, g/mol:	435.046942
ΔH_f, kcal/mol:	-238.25
Dipole, Da:	6.81
IP(EA), eV:	-10.21(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-4-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=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Cl

DOS

IR

Vibrations