Geometry & MOs

Info

ID:	375178
PubChem CID:	131472765
Reduced:	BrO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	1.03
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-4-hydroxy-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2O)Br)C(=O)OC

DOS

IR

Vibrations