Geometry & MOs

Info

ID:	373950
PubChem CID:	131321635
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	4.65
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methoxy-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)CC(=O)O)SC=C2Br

DOS

IR

Vibrations