Geometry & MOs

Info

ID:	391344
PubChem CID:	135004423
Reduced:	NSiWO7C19H25 (1)
Stoich.:	ABCD7E19F25 (1)
Weight, g/mol:	449.211981
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	6.49
IP(EA), eV:	-5.99(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-(diphenylphosphorylamino)-2-hydroxy-1-phenylnonan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=C(CC(=O)N1)[Si](C)(C)C)C(=[W])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations