Geometry & MOs

Info

ID:

13675

PubChem CID:

396845

Reduced:

O2Cl3H8C14 (2)

Stoich.:

A2B3C8D14 (2)

Weight, g/mol:

627.915025

ΔHf, kcal/mol:

-96.11

Dipole, Da:

1.35

IP(EA), eV:

 -9.03(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,6,12,17,23,26-hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(C=C2C3=CC(=C(C=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)C(=C3O)Cl)Cl)Cl)O)Cl

DOS

IR

Vibrations