Geometry & MOs

Info

ID:	11156
PubChem CID:	111520
Reduced:	NS2O7H21C23 (1)
Stoich.:	AB2C7D21E23 (1)
Weight, g/mol:	487.075944
ΔH_f, kcal/mol:	-217.12
Dipole, Da:	11.08
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)CC3=C(C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)O)S(=O)(=O)O.N

DOS

IR

Vibrations