Geometry & MOs

Info

ID:

425042

PubChem CID:

135124945

Reduced:

SF2O2N6C20H20 (1)

Stoich.:

AB2C2D6E20F20 (1)

Weight, g/mol:

444.118001

ΔHf, kcal/mol:

-19.1

Dipole, Da:

3.43

IP(EA), eV:

 -8.97(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@]1(C2(CC2)S(N(C(=N1)N)C)(O)O)C3=C(C=CC(=C3)/C=C(/C4=NC=C(N=C4)C#N)\F)F

DOS

IR

Vibrations