Geometry & MOs

Info

ID:	373717
PubChem CID:	131319192
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	2.31
IP(EA), eV:	-8.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(=CC=C1)SC(=C2O)Br

DOS

IR

Vibrations