Geometry & MOs

Info

ID:

440121

PubChem CID:

135230021

Reduced:

O9C50H90 (1)

Stoich.:

A9B50C90 (1)

Weight, g/mol:

1790.377839

ΔHf, kcal/mol:

-518.02

Dipole, Da:

4.65

IP(EA), eV:

 -10.03(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S)-2-[4-[(3R,4S,5R,6R)-6-methyl-3,4,5-tris[8-(3-octyloxiran-2-yl)octanoyloxy]oxan-2-yl]oxyphenoxy]-6-[8-(3-octyloxiran-2-yl)octanoyloxymethyl]oxan-4-yl] 9-octoxydecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC1C(O1)CCCCCCCC(=O)O[C@H]2C[C@H](OC[C@@H]2OC(=O)CCCCCCCC3C(O3)CCCCCCCC)COC(=O)CCCCCCC

DOS

IR

Vibrations