Geometry & MOs

Info

ID:	329875
PubChem CID:	127246742
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	353.100954
ΔH_f, kcal/mol:	18.42
Dipole, Da:	5.23
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=CSC=C3

DOS

IR

Vibrations