Geometry & MOs

Info

ID:

425227

PubChem CID:

135125576

Reduced:

SF3N8H17C23 (1)

Stoich.:

AB3C8D17E23 (1)

Weight, g/mol:

461.133317

ΔHf, kcal/mol:

58.0

Dipole, Da:

3.54

IP(EA), eV:

 -8.92(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[(Z)-2-(5-but-3-yn-2-yloxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C1[C@H]2CSC(=N[C@]2(CN1C3=NC=C(C=N3)F)C4=C(C=CC(=C4)/C=C(/C5=NC=C(N=C5)C#N)\F)F)N

DOS

IR

Vibrations