Geometry & MOs

Info

ID:	398223
PubChem CID:	135032351
Reduced:	ClRuN2P2H10 (1)
Stoich.:	ABC2D2E10 (1)
Weight, g/mol:	588.251189
ΔH_f, kcal/mol:	124.01
Dipole, Da:	1.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.764447
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]prop-1-enyl]chromen-4-one

Drug info:

PubChemData

Smile

[NH2-].[NH2-].P.P.Cl[Ru+2]

DOS

IR

Vibrations