Geometry & MOs

Info

ID:	398726
PubChem CID:	135035093
Reduced:	FISO3H14C21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	614.26983
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	3.43
IP(EA), eV:	-9.81(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 2-diphenylphosphanylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C(/C2=CC=C(C=C2)F)\I)/S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations