Geometry & MOs

Info

ID:

425104

PubChem CID:

135125178

Reduced:

OF4N4H14C20 (1)

Stoich.:

AB4C4D14E20 (1)

Weight, g/mol:

491.105051

ΔHf, kcal/mol:

-88.63

Dipole, Da:

3.0

IP(EA), eV:

 -9.54(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-fluoro-5-[2-fluoro-2-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1OC(=N[C@@]2(C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F)C(F)F)N

DOS

IR

Vibrations