Geometry & MOs

Info

ID:	403916
PubChem CID:	135062517
Reduced:	PdN2P2C26H44 (1)
Stoich.:	AB2C2D26E44 (1)
Weight, g/mol:	462.189852
ΔH_f, kcal/mol:	56.58
Dipole, Da:	11.0
IP(EA), eV:	-4.83(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-1,1-bis(ethylsulfanyl)-6-hydroxy-5,7-bis(phenylmethoxy)heptan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N-]C2=C(C=C(C=C2)C)[PH+](C(C)C)C(C)C)[PH+](C(C)C)C(C)C.[NH2-].[Pd+2]

DOS

IR

Vibrations