Geometry & MOs

Info

ID:	347787
PubChem CID:	127272849
Reduced:	FSO2N3C17H26 (1)
Stoich.:	ABC2D3E17F26 (1)
Weight, g/mol:	256.068177
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	5.61
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoropyridin-3-yl)sulfonyl-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations