Geometry & MOs

Info

ID:	355199
PubChem CID:	127288131
Reduced:	FNSO2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	291.054084
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	4.03
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,5-trifluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CC3CCC2C3)F

DOS

IR

Vibrations