Geometry & MOs

Info

ID:

376054

PubChem CID:

134222055

Reduced:

NP2O21C104H121 (1)

Stoich.:

AB2C21D104E121 (1)

Weight, g/mol:

1691.738902

ΔHf, kcal/mol:

-705.37

Dipole, Da:

7.0

IP(EA), eV:

 -8.94(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(COP(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(COP(OCCCCCN)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations