Geometry & MOs

Info

ID:	280640
PubChem CID:	103850432
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	4.84
IP(EA), eV:	-9.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylacetonitrile

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O

DOS

IR

Vibrations