Geometry & MOs

Info

ID:	374562
PubChem CID:	131331564
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	2.9
IP(EA), eV:	-9.2(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-formyl-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations