Geometry & MOs

Info

ID:

425322

PubChem CID:

135125925

Reduced:

ClSO2F3N5H17C19 (1)

Stoich.:

ABC2D3E5F17G19 (1)

Weight, g/mol:

504.125453

ΔHf, kcal/mol:

-110.08

Dipole, Da:

4.32

IP(EA), eV:

 -9.01(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1(CS(N(C(=N1)N)C)(O)O)C2=C(C(=CC(=C2)C=C(C3=C(C=C(C=N3)C#N)Cl)F)F)F

DOS

IR

Vibrations