Geometry & MOs

Info

ID:	373072
PubChem CID:	131309429
Reduced:	SO4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	241.980443
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	4.37
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-6-hydroxy-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)O)O)CC(=O)O

DOS

IR

Vibrations