Geometry & MOs

Info

ID:	232391
PubChem CID:	87576114
Reduced:	ON2C29H52 (1)
Stoich.:	AB2C29D52 (1)
Weight, g/mol:	197.99868
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.45
IP(EA), eV:	-9.29(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-6-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)N(CC)CCN

DOS

IR

Vibrations