Geometry & MOs

Info

ID:

51606

PubChem CID:

12014306

Reduced:

Cl3H4C6 (2)

Stoich.:

A3B4C6 (2)

Weight, g/mol:

792.409815

ΔHf, kcal/mol:

-0.6

Dipole, Da:

3.93

IP(EA), eV:

 -9.91(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7E,19E,30E,42E)-5,22,28,45-tetramethyl-12,15,35,38-tetraoxa-9,18,32,41-tetrazapentacyclo[41.3.1.13,7.120,24.126,30]pentaconta-1(46),3,5,7,19,21,23,26,28,30,42,44-dodecaene-47,48,49,50-tetrone

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]5[C@H]2[C@@]6([C@@]3([C@@]4([C@]5(C6(Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations