Geometry & MOs

Info

ID:

425422

PubChem CID:

135126289

Reduced:

SF2O4N6C23H24 (1)

Stoich.:

AB2C4D6E23F24 (1)

Weight, g/mol:

472.07836

ΔHf, kcal/mol:

-98.93

Dipole, Da:

2.2

IP(EA), eV:

 -9.35(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[(Z)-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=NOC(=N1)COC2=NC=C(N=C2)C(=CC3=CC(=C(C=C3)F)C4(CS(=O)(=O)C(C(=N4)N)(C)C)C)F

DOS

IR

Vibrations