Geometry & MOs

Info

ID:	226070
PubChem CID:	87322629
Reduced:	SO3C6H8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	317.07174
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	3.09
IP(EA), eV:	-10.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepta-1,3-diene;ruthenium(2+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide

Drug info:

PubChemData

Smile

C=CCS(=O)(=O)OCC#C

DOS

IR

Vibrations