Geometry & MOs

Info

ID:	278180
PubChem CID:	103833903
Reduced:	SN2O3C7H16 (1)
Stoich.:	AB2C3D7E16 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	1.59
IP(EA), eV:	-9.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CCNS(=O)(=O)N1CCC[C@@H]1CO

DOS

IR

Vibrations