Geometry & MOs

Info

ID:	412583
PubChem CID:	135085480
Reduced:	ORuN2C23H31 (1)
Stoich.:	ABC2D23E31 (1)
Weight, g/mol:	447.089144
ΔH_f, kcal/mol:	87.03
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.843889
Charge, e:	0

Chem-info

IUPAC name:

carbanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-[[(2S)-pyrrolidin-1-id-2-yl]methyl]azanide;ruthenium(3+);hydrate

Drug info:

PubChemData

Smile

[CH3-].CC1=C(C(=C(C(=C1C)C)C)C)C.C1=CC=NC(=C1)C2=CC=CC=N2.O.[Ru+]

DOS

IR

Vibrations