Geometry & MOs

Info

ID:	372428
PubChem CID:	131297494
Reduced:	BrO2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	315.92273
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	4.06
IP(EA), eV:	-8.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=C(C=CC2=C1C(=CS2)CC(=O)O)Br

DOS

IR

Vibrations