Geometry & MOs

Info

ID:

412656

PubChem CID:

135085568

Reduced:

ClRuSN2O3C32H36 (1)

Stoich.:

ABCD2E3F32G36 (1)

Weight, g/mol:

607.180639

ΔHf, kcal/mol:

77.9

Dipole, Da:

8.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.775886

Charge, e:

 1

Chem-info

IUPAC name:

carbanide;[(1S,2S)-1,2-diphenyl-2-(4-phenylbutylamino)ethyl]-piperidin-1-ylsulfonylazanide;ruthenium(3+)

Drug info:

PubChemData

Smile

[CH3-].CC1=CC=C(C=C1)COCCN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[N-]S(=O)(=O)C4=CC=C(C=C4)C.Cl[Ru+2]

DOS

IR

Vibrations