Geometry & MOs

Info

ID:	374766
PubChem CID:	131342652
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	2.48
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-3-methyl-1-benzothiophen-6-yl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations