Geometry & MOs

Info

ID:	374767
PubChem CID:	131342654
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-57.53
Dipole, Da:	1.23
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=C1C=C(C(=C2)CC(=O)OC)Br

DOS

IR

Vibrations