Geometry & MOs

Info

ID:	8749
PubChem CID:	80949
Reduced:	SN3O5H11C12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	309.041942
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	8.61
IP(EA), eV:	-9.39(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dihydroxyamino)phenyl]imino-6-iminocyclohexa-1,4-diene-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C2C=CC(=N)C(=C2)S(=O)(=O)O)N(O)O

DOS

IR

Vibrations