Geometry & MOs

Info

ID:

425087

PubChem CID:

135125133

Reduced:

O2N4F5H19C22 (1)

Stoich.:

A2B4C5D19E22 (1)

Weight, g/mol:

465.128232

ΔHf, kcal/mol:

-195.88

Dipole, Da:

5.27

IP(EA), eV:

 -9.21(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-fluoro-5-[(Z)-2-fluoro-2-(6-methyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations