Geometry & MOs

Info

ID:

409085

PubChem CID:

135081860

Reduced:

K2O3H6C8 (1)

Stoich.:

A2B3C6D8 (1)

Weight, g/mol:

1856.158344

ΔHf, kcal/mol:

-126.96

Dipole, Da:

16.14

IP(EA), eV:

-5.86(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl 2-[[7,13,19,25,31,37,43,60-octatert-butyl-62,65-dihydroxy-63,64,66-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-49,56-dioxaundecacyclo[25.21.9.251,54.13,47.15,9.111,15.117,21.129,33.135,39.141,45.023,57]hexahexaconta-1,3(60),5,7,9(66),11,13,15(65),17(64),18,20,23(57),24,26,29,31,33(63),35(62),36,38,41(61),42,44,47,51(59),52,54(58)-heptacosaen-61-yl]oxy]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations