Geometry & MOs

Info

ID:

224714

PubChem CID:

85347138

Reduced:

ClN2O3C27H27 (1)

Stoich.:

AB2C3D27E27 (1)

Weight, g/mol:

492.256549

ΔHf, kcal/mol:

-66.53

Dipole, Da:

3.48

IP(EA), eV:

 -9.48(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,26-bis(ethenyl)-17,22-diazaoctacyclo[27.3.1.16,10.02,5.09,17.011,16.022,30.023,28]tetratriaconta-1(33),6(34),7,9,11(16),12,14,23(28),24,26,29,31-dodecaene

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)C3=CC=CC(=C3)C=CC(=O)OC

DOS

IR

Vibrations