Geometry & MOs

Info

ID:

177451

PubChem CID:

76186571

Reduced:

O13C59H86 (1)

Stoich.:

A13B59C86 (1)

Weight, g/mol:

1124.680008

ΔHf, kcal/mol:

-568.9

Dipole, Da:

4.1

IP(EA), eV:

 -8.6(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 14-[6-[[6-[3-[6-[[6-(4-hydroxy-3,5-dimethylhex-1-enyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]tetradeca-2,4,6,8,10,12-hexaenoate

Drug info:

PubChemData

Smile

CC1C(OC(OC1CC2CC(OC(O2)C3=CC=C(C=C3)OC)CC(CC4CC(OC(O4)(C)C)CC5CC(OC(O5)(C)C)C=CC(C)C(C(C)C)O)OCC6=CC=C(C=C6)OC)(C)C)CC=CC=CC=CC=O

DOS

IR

Vibrations