Geometry & MOs

Info

ID:	278222
PubChem CID:	103834176
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	5.44
IP(EA), eV:	-9.4(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)N2CCC[C@H]2CO

DOS

IR

Vibrations