Geometry & MOs

Info

ID:

408037

PubChem CID:

135080792

Reduced:

O3C8H8 (1)

Stoich.:

A3B8C8 (1)

Weight, g/mol:

1776.435584

ΔHf, kcal/mol:

-96.13

Dipole, Da:

5.14

IP(EA), eV:

-9.78(-0.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

zinc;6,7,15,16,24,25,33,34-octakis(diethoxyphosphorylmethyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[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(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

C1[C@@H](COC1=O)C2=CC=CO2

DOS

IR

Vibrations