Geometry & MOs

Info

ID:	353792
PubChem CID:	127285428
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	269.088578
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	4.07
IP(EA), eV:	-9.52(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)N1CC2CCC1C2

DOS

IR

Vibrations