Geometry & MOs

Info

ID:	373937
PubChem CID:	131321508
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	4.55
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CC(=O)O)C(=C(S2)O)Br

DOS

IR

Vibrations