Geometry & MOs

Info

ID:

219891

PubChem CID:

85165014

Reduced:

ClFSN2O7C29H38 (1)

Stoich.:

ABCD2E7F29G38 (1)

Weight, g/mol:

612.218843

ΔHf, kcal/mol:

-303.68

Dipole, Da:

1.38

IP(EA), eV:

 -8.65(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper;4,9,10,15-tetraethyl-5,14-dimethyl-23,29,31-triaza-30,32-diazanidaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19(28),20(25),21,23,26-pentadecaene

Drug info:

PubChemData

Smile

CCCN(CCN1CC(C(C1C2=CC(=C(C=C2)OC)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CCCCl

DOS

IR

Vibrations