Geometry & MOs

Info

ID:	372427
PubChem CID:	131297490
Reduced:	BrO2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	315.92273
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	2.62
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-4-methylsulfanyl-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CSC1=C(C(=C2C=CSC2=C1)CC(=O)O)Br

DOS

IR

Vibrations