Geometry & MOs

Info

ID:

412512

PubChem CID:

135085407

Reduced:

PtSP2O4F8H32C35 (1)

Stoich.:

ABC2D4E8F32G35 (1)

Weight, g/mol:

930.25536

ΔHf, kcal/mol:

-427.65

Dipole, Da:

22.3

IP(EA), eV:

 -7.59(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[[3-[[5-ethenyl-2-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-2-fluorophenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dibromide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C)[PH+](C1=CC=CC=C1)C2=CC=CC=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4.[C-]1=C(C(=C(C(=C1F)F)F)F)F.C(F)(F)(F)S(=O)(=O)[O-].O.[Pt+2]

DOS

IR

Vibrations