Geometry & MOs

Info

ID:

410235

PubChem CID:

135083026

Reduced:

SVN2O8C38H61 (1)

Stoich.:

ABC2D8E38F61 (1)

Weight, g/mol:

562.019615

ΔHf, kcal/mol:

-430.45

Dipole, Da:

3.16

IP(EA), eV:

 -8.24(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethoxy]-(trifluoromethylsulfonyloxy)tin

Drug info:

PubChemData

Smile

CCOS(=O)(=O)[O-].CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.O.O=[V]

DOS

IR

Vibrations