Geometry & MOs

Info

ID:	412195
PubChem CID:	135085070
Reduced:	ClNORuC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	602.15409
ΔH_f, kcal/mol:	119.34
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.822781
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(1+) monohydride

Drug info:

PubChemData

Smile

[CH3-].C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)O)[NH-].Cl[Ru+2]

DOS

IR

Vibrations