Geometry & MOs

Info

ID:

375733

PubChem CID:

134221723

Reduced:

PO21C90H103 (1)

Stoich.:

AB21C90D103 (1)

Weight, g/mol:

1617.686867

ΔHf, kcal/mol:

-729.05

Dipole, Da:

4.35

IP(EA), eV:

 -8.86(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[hydroxy-[4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxyphosphoryl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(OC(C1OC)OCC(C(C(COP(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)COCC1=CC=CC=C1

DOS

IR

Vibrations