Geometry & MOs

Info

ID:

215279

PubChem CID:

85084469

Reduced:

O11C45H74 (1)

Stoich.:

A11B45C74 (1)

Weight, g/mol:

789.251813

ΔHf, kcal/mol:

-600.12

Dipole, Da:

9.25

IP(EA), eV:

 -9.3(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6,15,24-tritert-butyl-33-nitro-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC=CCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations