Geometry & MOs

Info

ID:	347788
PubChem CID:	127272850
Reduced:	FSN2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	341.157326
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	4.41
IP(EA), eV:	-9.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]sulfonyl-5-fluoropyridine

Drug info:

PubChemData

Smile

C1CC2CC1CN2S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations