Geometry & MOs

Info

ID:

141966

PubChem CID:

52959548

Reduced:

N5O6H24C25 (1)

Stoich.:

A5B6C24D25 (1)

Weight, g/mol:

370.109962

ΔHf, kcal/mol:

-77.74

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.991587

Charge, e:

 0

Chem-info

IUPAC name:

(NZ)-N-[3-(3-methoxypropylimino)quinoxalin-2-ylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=NC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C=C3C1=NC4=C(C=CC=[N+]4C3=O)C)C(=O)OCC

DOS

IR

Vibrations