Geometry & MOs

Info

ID:	280664
PubChem CID:	103850565
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	280.068177
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	5.08
IP(EA), eV:	-9.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations