Geometry & MOs

Info

ID:	373073
PubChem CID:	131309463
Reduced:	ClSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	241.980443
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	5.65
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-hydroxy-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CCl)C(=O)O)O

DOS

IR

Vibrations