Geometry & MOs

Info

ID:	280629
PubChem CID:	103850377
Reduced:	SO2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	218.072513
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	7.87
IP(EA), eV:	-9.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypiperidin-1-yl)sulfonylacetonitrile

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)CC#N)N(C)C1CC1

DOS

IR

Vibrations