Geometry & MOs

Info

ID:	373949
PubChem CID:	131321626
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	6.39
IP(EA), eV:	-8.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxy-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(SC2=C1C=CC=C2Br)C(=O)OC

DOS

IR

Vibrations