Geometry & MOs

Info

ID:

425423

PubChem CID:

135126290

Reduced:

ClSF2N4O4C19H19 (1)

Stoich.:

ABC2D4E4F19G19 (1)

Weight, g/mol:

470.06271

ΔHf, kcal/mol:

-181.96

Dipole, Da:

5.43

IP(EA), eV:

 -8.93(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations