Geometry & MOs

Info

ID:

426323

PubChem CID:

135143418

Reduced:

OSF3N4H15C20 (1)

Stoich.:

ABC3D4E15F20 (1)

Weight, g/mol:

506.154781

ΔHf, kcal/mol:

1.8

Dipole, Da:

3.75

IP(EA), eV:

 -8.9(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2-methylsulfonylpentanimidamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=NC([C@H]1S2=O)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F)NF

DOS

IR

Vibrations