Geometry & MOs

Info

ID:	373718
PubChem CID:	131319214
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	4.15
IP(EA), eV:	-9.45(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(hydroxymethyl)-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1Br)CO)C(=O)O

DOS

IR

Vibrations