Geometry & MOs

Info

ID:

125451

PubChem CID:

50924688

Reduced:

O5C24H40 (1)

Stoich.:

A5B24C40 (1)

Weight, g/mol:

414.261754

ΔHf, kcal/mol:

-291.86

Dipole, Da:

5.44

IP(EA), eV:

 -10.14(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,5R,8S,9R,10S,12R,13R)-10-[2-(2-ethoxyethoxy)ethoxy]-1,5,9,12-tetramethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

[3H]C1C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)[3H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C

DOS

IR

Vibrations