Geometry & MOs

Info

ID:	147954
PubChem CID:	53787615
Reduced:	ClSN6O6C20H25 (1)
Stoich.:	ABC6D6E20F25 (1)
Weight, g/mol:	430.018095
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	9.88
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxynaphthalen-1-yl)sulfonyloxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1=C(C(=O)NC=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)OC)N)[C@@H](CCCN=C(N)N)C=O

DOS

IR

Vibrations