Geometry & MOs

Info

ID:	162094
PubChem CID:	57393604
Reduced:	ClFSO2N4H14C15 (1)
Stoich.:	ABCD2E4F14G15 (1)
Weight, g/mol:	535.217029
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	4.49
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-8-benzyl-3-[2-[bis(4-fluorophenyl)methoxy]ethylidene]-8-azabicyclo[3.2.1]octane;oxalic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F.Cl

DOS

IR

Vibrations