Geometry & MOs

Info

ID:

425098

PubChem CID:

135125168

Reduced:

SF2O3N4C24H28 (1)

Stoich.:

AB2C3D4E24F28 (1)

Weight, g/mol:

490.185018

ΔHf, kcal/mol:

-132.12

Dipole, Da:

9.32

IP(EA), eV:

 -9.22(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[5-(cyclobutylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC4CCC4)\F)F

DOS

IR

Vibrations