Geometry & MOs

Info

ID:	373953
PubChem CID:	131321672
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	2.13
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxy-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=C2CC(=O)O)Br

DOS

IR

Vibrations