Geometry & MOs

Info

ID:

425424

PubChem CID:

135126291

Reduced:

ClSF2N4O4H17C19 (1)

Stoich.:

ABC2D4E4F17G19 (1)

Weight, g/mol:

472.07836

ΔHf, kcal/mol:

-175.3

Dipole, Da:

4.77

IP(EA), eV:

 -9.42(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)NC(=O)O)C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)Cl)\F)F

DOS

IR

Vibrations