Geometry & MOs

Info

ID:	412867
PubChem CID:	135085796
Reduced:	BrZnO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	337.84348
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	1.32
IP(EA), eV:	-9.35(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-dibromoethenyl)-1,3-benzodioxole-5-thiol

Drug info:

PubChemData

Smile

C/C(=C\COC1CCCCO1)/C#[C-].[Zn+]Br

DOS

IR

Vibrations