Geometry & MOs

Info

ID:	372747
PubChem CID:	131303881
Reduced:	BrS2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	298.0027
ΔH_f, kcal/mol:	23.2
Dipole, Da:	2.42
IP(EA), eV:	-8.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-4-ethoxy-5-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=CSC2=C1C=CC(=C2CBr)SC

DOS

IR

Vibrations