Geometry & MOs

Info

ID:

425303

PubChem CID:

135125872

Reduced:

SF2O3N5C21H23 (1)

Stoich.:

AB2C3D5E21F23 (1)

Weight, g/mol:

473.133317

ΔHf, kcal/mol:

-102.78

Dipole, Da:

7.68

IP(EA), eV:

 -9.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R)-8-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC4CC4)\F)F

DOS

IR

Vibrations