Geometry & MOs

Info

ID:	374770
PubChem CID:	131342662
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	1.59
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-7-methyl-1-benzothiophen-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Br)C(=CS2)CC(=O)OC

DOS

IR

Vibrations