Geometry & MOs

Info

ID:	7344
PubChem CID:	72203
Reduced:	N3S3O9H19C20 (1)
Stoich.:	A3B3C9D19E20 (1)
Weight, g/mol:	541.028343
ΔH_f, kcal/mol:	-287.88
Dipole, Da:	6.98
IP(EA), eV:	-9.32(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O

DOS

IR

Vibrations