Geometry & MOs

Info

ID:	355198
PubChem CID:	127288130
Reduced:	FNO2S2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	269.088578
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	4.34
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-3-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCSCC2)F

DOS

IR

Vibrations