Geometry & MOs

Info

ID:	182039
PubChem CID:	76832483
Reduced:	S2H18C25 (1)
Stoich.:	A2B18C25 (1)
Weight, g/mol:	496.202754
ΔH_f, kcal/mol:	155.52
Dipole, Da:	0.7
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-ethyl-6-methylphenyl)-1,1,4,4-tetramethylimidazolidin-1-ium-2-ide;(2-propan-2-yloxyphenyl)methylideneruthenium(1+)

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2(C3=C(C4=C2C=CS4)SC=C3)C=CC5=CC=CC=C5

DOS

IR

Vibrations