Geometry & MOs

Info

ID:

134176

PubChem CID:

51658242

Reduced:

FSO2N3H13C18 (1)

Stoich.:

ABC2D3E13F18 (1)

Weight, g/mol:

442.123681

ΔHf, kcal/mol:

-14.92

Dipole, Da:

6.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787061

Charge, e:

 -1

Chem-info

IUPAC name:

N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-3-(propylsulfonylamino)benzenecarboximidate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OC2=C(C=CC=N2)CNC(=C3C=CC=NC3=S)[O-]

DOS

IR

Vibrations