Geometry & MOs

Info

ID:	373193
PubChem CID:	131311320
Reduced:	BrSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	5.0
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2-ethoxy-6-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)C(C(=O)O)O)O)Br

DOS

IR

Vibrations