Geometry & MOs

Info

ID:

376074

PubChem CID:

134222076

Reduced:

NF2P2O19C102H115 (1)

Stoich.:

AB2C2D19E102F115 (1)

Weight, g/mol:

1746.656093

ΔHf, kcal/mol:

-715.09

Dipole, Da:

13.11

IP(EA), eV:

 -8.33(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azido benzyl [5-[3-fluoro-4-[[5-[3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-phenylmethoxyphosphoryl]oxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(O2)OCC(C(C(COP(OCC3=CC=CC=C3)OC4C(OC(C4F)OCC(C(C(COP(OCCCCCN)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)OCC1=CC=CC=C1

DOS

IR

Vibrations