Geometry & MOs

Info

ID:	412584
PubChem CID:	135085481
Reduced:	RuSN2O4C16H29 (1)
Stoich.:	ABC2D4E16F29 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.782708
Charge, e:	0

Chem-info

IUPAC name:

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

[CH3-].CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[N-]C[C@@H]3CCC[N-]3)C.O.[Ru+3]

DOS

IR

Vibrations