Geometry & MOs

Info

ID:

435024

PubChem CID:

135177826

Reduced:

O20C73H80 (1)

Stoich.:

A20B73C80 (1)

Weight, g/mol:

1328.758652

ΔHf, kcal/mol:

-726.86

Dipole, Da:

7.37

IP(EA), eV:

 -8.06(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[8-[[2-[3-[3-(4-heptoxyphenyl)-3-oxopropoxy]-2-hydroxypropoxy]-7-[5-(4-hexoxyphenyl)-2-hydroxy-5-oxopentoxy]naphthalen-1-yl]methyl]-7-(2-hydroxy-3-octanoyloxypropoxy)naphthalen-2-yl]oxy-2-hydroxypropyl] octanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)OCC(COC2=CC3=C(C=C2)C=CC(=C3CC4=C(C=CC5=C4C=C(C=C5)OCC(COC(=O)C6=CC=C(C=C6)OCCC)O)OCC(COC(=O)C7=CC=C(C=C7)OCCC)O)OCC(COC(=O)C8=CC=C(C=C8)OCCC)O)O

DOS

IR

Vibrations