Geometry & MOs

Info

ID:	374771
PubChem CID:	131342665
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	1.96
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-7-methyl-1-benzothiophen-4-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1SC=C2CC(=O)OC)Br

DOS

IR

Vibrations