Geometry & MOs

Info

ID:	27337
PubChem CID:	820758
Reduced:	ClFN3O3H9C16 (1)
Stoich.:	ABC3D3E9F16 (1)
Weight, g/mol:	329.061197
ΔH_f, kcal/mol:	-1.51
Dipole, Da:	4.71
IP(EA), eV:	-9.95(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Cl

DOS

IR

Vibrations