Geometry & MOs

Info

ID:	303239
PubChem CID:	124489400
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-112.08
Dipole, Da:	6.73
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations