Geometry & MOs

Info

ID:

173428

PubChem CID:

75637057

Reduced:

FNO4H15C19 (1)

Stoich.:

ABC4D15E19 (1)

Weight, g/mol:

399.031864

ΔHf, kcal/mol:

-94.25

Dipole, Da:

9.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.083681

Charge, e:

 -1

Chem-info

IUPAC name:

5-[(2-benzoylhydrazinyl)methylidene]-1-(2-chlorophenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)OC)C3=CC=CC=C3F)[O-]

DOS

IR

Vibrations