Geometry & MOs

Info

ID:

324864

PubChem CID:

126678503

Reduced:

SF4O4N6C32H32 (1)

Stoich.:

AB4C4D6E32F32 (1)

Weight, g/mol:

595.172817

ΔHf, kcal/mol:

-262.44

Dipole, Da:

4.3

IP(EA), eV:

 -8.56(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] N-[3,5-bis(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(NC3=C(C=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)F)O

DOS

IR

Vibrations