Geometry & MOs

Info

ID:

221547

PubChem CID:

85279485

Reduced:

O9C18H26 (3)

Stoich.:

A9B18C26 (3)

Weight, g/mol:

1176.645689

ΔHf, kcal/mol:

-1164.49

Dipole, Da:

9.89

IP(EA), eV:

 -10.07(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11,20-bis(methoxymethoxy)-19-(4-methylphenyl)sulfonyloxy-25-phenylmethoxypentacos-21-en-12-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(C(O3)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)OC4C(C(C(C(O4)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O)COC(=O)C(=CC)C)O)O)O)O)O

DOS

IR

Vibrations