Geometry & MOs

Info

ID:	249456
PubChem CID:	103089613
Reduced:	FNSO2Cl3C13H15 (1)
Stoich.:	ABCD2E3F13G15 (1)
Weight, g/mol:	370.971661
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	6.03
IP(EA), eV:	-9.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-8-(2,4-dichloro-3-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)CCCCl

DOS

IR

Vibrations