Geometry & MOs

Info

ID:

47546

PubChem CID:

10534079

Reduced:

INO12C53H60 (1)

Stoich.:

ABC12D53E60 (1)

Weight, g/mol:

1030.204934

ΔHf, kcal/mol:

-375.28

Dipole, Da:

3.28

IP(EA), eV:

 -8.75(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibenzyl [(1R,4R)-4-bis(phenylmethoxy)phosphoryloxy-5,6-bis[(3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl)oxy]cyclohex-2-en-1-yl] phosphate

Drug info:

PubChemData

Smile

CCOCCOC1=C2CC3=C(C4=CC(=C3)COC(=O)C5=NC(=CC=C5)C(=O)OCC6=CC(=C(C(=C6)CC7=CC(=CC(=C7OCCOCC)C4)I)OCCOCC)CC1=CC=C2)OCCOCC

DOS

IR

Vibrations