Geometry & MOs

Info

ID:

388603

PubChem CID:

134989609

Reduced:

BrO3C7H11 (1)

Stoich.:

AB3C7D11 (1)

Weight, g/mol:

1050.38436

ΔHf, kcal/mol:

-154.39

Dipole, Da:

5.43

IP(EA), eV:

-10.77(-1.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,7,15,16,24,25,33,34,42,43-decamethyl-2,11,20,29,38,46,47,49-octaza-48,50-diazanidaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1,3,5,7,9,11,13(18),14,16,19(49),20,22(27),23,25,28,30(47),31(36),32,34,37,39(46),40(45),41,43-tetracosaene;dioxouranium(2+)

Drug info:

PubChemData

Smile

C1CC[C@@]([C@@H](C1)O)(C(=O)O)Br

DOS

IR

Vibrations