Geometry & MOs

Info

ID:	373986
PubChem CID:	131322056
Reduced:	BrSO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	240.996427
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	4.44
IP(EA), eV:	-9.62(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(chloromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)C(=O)O)C(=C1C=O)Br

DOS

IR

Vibrations