Geometry & MOs

Info

ID:

388513

PubChem CID:

134989362

Reduced:

Li2O3H6C8 (1)

Stoich.:

A2B3C6D8 (1)

Weight, g/mol:

1314.80493

ΔHf, kcal/mol:

-112.59

Dipole, Da:

14.5

IP(EA), eV:

-8.41(0.92)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,16,25,33-tetrakis(dodecylsulfanyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

[Li+].[Li+].COC1=[C-]C=CC(=C1)C(=O)[O-]

DOS

IR

Vibrations