Geometry & MOs

Info

ID:	10502
PubChem CID:	103268
Reduced:	N3S3O10H17C18 (1)
Stoich.:	A3B3C10D17E18 (1)
Weight, g/mol:	531.007607
ΔH_f, kcal/mol:	-293.6
Dipole, Da:	4.45
IP(EA), eV:	-9.17(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NCS(=O)(=O)O

DOS

IR

Vibrations