Geometry & MOs

Info

ID:

376053

PubChem CID:

134222054

Reduced:

P2N3O23C99H109 (1)

Stoich.:

A2B3C23D99E109 (1)

Weight, g/mol:

1782.793989

ΔHf, kcal/mol:

-719.38

Dipole, Da:

3.39

IP(EA), eV:

 -9.29(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[5-aminopentoxy(phenylmethoxy)phosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl] benzyl [5-[3-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] phosphite

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(COP(=O)(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(COP(=O)(OCC4=CC=CC=C4)ON=[N+]=[N-])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