Geometry & MOs

Info

ID:

135930

PubChem CID:

51957055

Reduced:

ClSN2F3O3H13C19 (1)

Stoich.:

ABC2D3E3F13G19 (1)

Weight, g/mol:

417.057889

ΔHf, kcal/mol:

-188.77

Dipole, Da:

3.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.086995

Charge, e:

 -1

Chem-info

IUPAC name:

(4-methylsulfonylphenyl)sulfonyl-[4-[(2-oxopyridin-1-yl)methyl]phenyl]azanide

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1)CC2=CC=C(C=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations