Geometry & MOs

Info

ID:

375734

PubChem CID:

134221724

Reduced:

PO22C94H105 (1)

Stoich.:

AB22C94D105 (1)

Weight, g/mol:

1567.731101

ΔHf, kcal/mol:

-766.35

Dipole, Da:

11.62

IP(EA), eV:

 -8.99(-0.55)

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]oxymethoxy]-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(OC(C1OC)OCC(C(C(COP(=O)(O)OC2C(OC(C2OC)OCC(C(C(COCC3=CC4=CC=CC=C4C=C3)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

DOS

IR

Vibrations