Geometry & MOs

Info

ID:	373936
PubChem CID:	131321506
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	4.84
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-hydroxy-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)O)Br)CC(=O)O

DOS

IR

Vibrations