Geometry & MOs

Info

ID:	372865
PubChem CID:	131306246
Reduced:	BrISO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	5.94
IP(EA), eV:	-9.33(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(chloromethyl)-6-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)I)C(=C(S2)Br)C(C(=O)O)O

DOS

IR

Vibrations