Geometry & MOs

Info

ID:

425099

PubChem CID:

135125170

Reduced:

SF2O3N4C24H28 (1)

Stoich.:

AB2C3D4E24F28 (1)

Weight, g/mol:

518.154781

ΔHf, kcal/mol:

-130.61

Dipole, Da:

2.39

IP(EA), eV:

 -9.42(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC4CCC4)F)F)N)C

DOS

IR

Vibrations