Geometry & MOs

Info

ID:

173746

PubChem CID:

75677910

Reduced:

ClOSN3C9H9 (1)

Stoich.:

ABCD3E9F9 (1)

Weight, g/mol:

294.087866

ΔHf, kcal/mol:

41.63

Dipole, Da:

5.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769134

Charge, e:

 -1

Chem-info

IUPAC name:

3-[(4-methylpyridin-2-yl)carbamoyl]-2-oxo-4aH-quinolin-4-olate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2NC(NC(=S)N2)[O-])Cl

DOS

IR

Vibrations