Geometry & MOs

Info

ID:

425082

PubChem CID:

135125114

Reduced:

FNSO6H30C31 (1)

Stoich.:

ABCD6E30F31 (1)

Weight, g/mol:

456.99187

ΔHf, kcal/mol:

-194.71

Dipole, Da:

5.85

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)OC5CCS(=O)(=O)CC5

DOS

IR

Vibrations