Geometry & MOs

Info

ID:	338958
PubChem CID:	127259969
Reduced:	NS2O6H13C18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	9.23
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)O

DOS

IR

Vibrations