Geometry & MOs

Info

ID:	374550
PubChem CID:	131331431
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	283.98705
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	7.27
IP(EA), eV:	-8.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-ethyl-7-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC=C2CC(=O)O)OC

DOS

IR

Vibrations