Geometry & MOs

Info

ID:

425090

PubChem CID:

135125148

Reduced:

SO2F3N6C27H27 (1)

Stoich.:

AB2C3D6E27F27 (1)

Weight, g/mol:

496.119224

ΔHf, kcal/mol:

-97.41

Dipole, Da:

4.16

IP(EA), eV:

 -8.65(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,6-difluoro-5-[2-fluoro-5-[2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N(C)C4CCN(CC4)C

DOS

IR

Vibrations