Geometry & MOs

Info

ID:

376248

PubChem CID:

134222258

Reduced:

O11C33H67 (2)

Stoich.:

A11B33C67 (2)

Weight, g/mol:

2548.344211

ΔHf, kcal/mol:

-1060.4

Dipole, Da:

3.42

IP(EA), eV:

-9.35(1.8)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-O-(3-hydroxy-1-adamantyl) 17-O-(2-oxooxolan-3-yl) 5-O,7-O,9-O,11-O,13-O-pentakis[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 25-O-(2-propan-2-yl-1-adamantyl) 21-O-(1-propan-2-ylcyclopentyl) 1,1,5,7,9,11,13,17,21,25-decamethylheptacosane-1,5,7,9,11,13,17,21,25-nonacarboxylate

Drug info:

PubChemData

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C(CCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO)CCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO

DOS

IR

Vibrations