Geometry & MOs

Info

ID:	391961
PubChem CID:	135011400
Reduced:	NRhSP3O6C26H39 (1)
Stoich.:	ABCD3E6F26G39 (1)
Weight, g/mol:	519.184446
ΔH_f, kcal/mol:	-253.39
Dipole, Da:	33.34
IP(EA), eV:	-9.07(-3.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-diethoxyphosphoryl-2-[4-ethylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=CC=C1)(/C(=C\2/CN(CC2=[C-]C)S(=O)(=O)C3=CC=C(C=C3)C)/C)O)OCC.P.P.[Rh+2]

DOS

IR

Vibrations