Geometry & MOs

Info

ID:	166948
PubChem CID:	74758096
Reduced:	ClN2O7H17C19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	423.026956
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	3.47
IP(EA), eV:	-9.03(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

DOS

IR

Vibrations