Geometry & MOs

Info

ID:

412393

PubChem CID:

135085284

Reduced:

ClRuSC37H38 (2)

Stoich.:

ABCD37E38 (2)

Weight, g/mol:

473.975921

ΔHf, kcal/mol:

221.29

Dipole, Da:

5.22

IP(EA), eV:

 -7.34(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[tert-butyl(phenyl)phosphaniumyl]benzenesulfonate;carbanide;chlororuthenium(2+)

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[S-].CC[C@H](C1=CC(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[S-].C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.Cl[Ru+].Cl[Ru+]

DOS

IR

Vibrations