Geometry & MOs

Info

ID:

394590

PubChem CID:

135023264

Reduced:

O2N6C21H34 (1)

Stoich.:

A2B6C21D34 (1)

Weight, g/mol:

726.42574

ΔHf, kcal/mol:

-41.43

Dipole, Da:

5.41

IP(EA), eV:

 -8.84(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,9R,16Z,19R,24R,31Z,34R,39R,41Z)-14,29,44-trimethyl-3,10,18,25,33,40-hexazaheptacyclo[40.3.1.112,16.127,31.04,9.019,24.034,39]octatetraconta-1(45),2,10,12,14,16,25,27,29,31,41,43-dodecaene-46,47,48-trione

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)(C1=NN=NN1C(C)(C)CC(C)(C)C)NC2=CC=CC=C2N

DOS

IR

Vibrations