Geometry & MOs

Info

ID:	164456
PubChem CID:	74402272
Reduced:	NSF3O4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	413.070877
ΔH_f, kcal/mol:	-247.24
Dipole, Da:	7.42
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonylhexanenitrile

Drug info:

PubChemData

Smile

CC(=O)CCC(C#N)(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations