Geometry & MOs

Info

ID:

425326

PubChem CID:

135125938

Reduced:

SF2O2N6C20H22 (1)

Stoich.:

AB2C2D6E20F22 (1)

Weight, g/mol:

477.164617

ΔHf, kcal/mol:

-46.89

Dipole, Da:

1.88

IP(EA), eV:

 -8.92(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-[5-(cyclobutylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C[C@]1(C(S(N(C(=N1)N)C)(O)O)(C)C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(N=C3)C#N)\F)F

DOS

IR

Vibrations