Geometry & MOs

Info

ID:

425323

PubChem CID:

135125930

Reduced:

SO3N4F5C21H21 (1)

Stoich.:

AB3C4D5E21F21 (1)

Weight, g/mol:

513.164617

ΔHf, kcal/mol:

-280.47

Dipole, Da:

6.26

IP(EA), eV:

 -9.43(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-[5-(pyridin-4-ylmethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC(F)(F)F)\F)F

DOS

IR

Vibrations