Geometry & MOs

Info

ID:

297791

PubChem CID:

117631054

Reduced:

FSBr2N2O2C21H21 (1)

Stoich.:

ABC2D2E2F21G21 (1)

Weight, g/mol:

476.158387

ΔHf, kcal/mol:

-56.94

Dipole, Da:

5.18

IP(EA), eV:

 -8.83(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R,6R)-6-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

C=C1CCCC2C1(C3=C(N2)C(=CC(=C3)Br)F)CCNS(=O)(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations