Geometry & MOs

Info

ID:	284656
PubChem CID:	104057285
Reduced:	ClN2O2S2C14H19 (1)
Stoich.:	AB2C2D2E14F19 (1)
Weight, g/mol:	326.049191
ΔH_f, kcal/mol:	-58.52
Dipole, Da:	1.99
IP(EA), eV:	-9.02(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetylpiperidin-1-yl)sulfonyl-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

CN(CC1CCCC1)S(=O)(=O)C2=C(C=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations