Geometry & MOs

Info

ID:	347791
PubChem CID:	127272853
Reduced:	FSN3O3C16H24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	313.126026
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations