Geometry & MOs

Info

ID:

193434

PubChem CID:

78395051

Reduced:

SO2N4C20H23 (1)

Stoich.:

AB2C4D20E23 (1)

Weight, g/mol:

381.083509

ΔHf, kcal/mol:

-15.97

Dipole, Da:

3.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.247181

Charge, e:

 -1

Chem-info

IUPAC name:

4-methoxy-2-nitro-6-[[(2-oxo-4aH-quinoline-4-carbonyl)hydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

CCOC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)C=C4C(=O)NC(=S)N4

DOS

IR

Vibrations