Geometry & MOs

Info

ID:	232662
PubChem CID:	87576661
Reduced:	SN2O4C5H12 (1)
Stoich.:	AB2C4D5E12 (1)
Weight, g/mol:	213.975836
ΔH_f, kcal/mol:	-170.69
Dipole, Da:	4.76
IP(EA), eV:	-10.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophene-4-sulfonic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OS(=O)(=O)CCN)N

DOS

IR

Vibrations