Geometry & MOs

Info

ID:

170550

PubChem CID:

75250793

Reduced:

SO2F3N4H17C21 (1)

Stoich.:

AB2C3D4E17F21 (1)

Weight, g/mol:

518.167808

ΔHf, kcal/mol:

-90.73

Dipole, Da:

4.92

IP(EA), eV:

 -8.82(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(4-methylphenyl)-N-[1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C[N+](=C(C=C1)C(F)(F)F)[O-])NC(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4)C

DOS

IR

Vibrations