Geometry & MOs

Info

ID:	412780
PubChem CID:	135085707
Reduced:	SO2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	231.9738
ΔH_f, kcal/mol:	22.0
Dipole, Da:	3.6
IP(EA), eV:	-8.8(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;but-2-ynylbenzene;bromide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=S)C2=CC=CO2

DOS

IR

Vibrations