Geometry & MOs

Info

ID:	374374
PubChem CID:	131327578
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	6.46
IP(EA), eV:	-9.36(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)Br)C(=C1C=O)CC(=O)O

DOS

IR

Vibrations