Geometry & MOs

Info

ID:	373394
PubChem CID:	131314589
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	2.8
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-6-(hydroxymethyl)-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=C(C(=C2)CO)Br

DOS

IR

Vibrations