Geometry & MOs

Info

ID:	406687
PubChem CID:	135078358
Reduced:	NSF3O3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	328.041483
ΔH_f, kcal/mol:	-216.99
Dipole, Da:	12.26
IP(EA), eV:	-10.37(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-(3-chlorophenyl)-2-cyanoprop-2-enoyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C=CCC[N+]1=CC=CC=C1C=C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations