Geometry & MOs

Info

ID:	280648
PubChem CID:	103850462
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	3.37
IP(EA), eV:	-10.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylpiperidin-1-yl)sulfonylbutanenitrile

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)NC1CCCC1CO

DOS

IR

Vibrations