Geometry & MOs

Info

ID:

324578

PubChem CID:

126677927

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

257.83

Dipole, Da:

3.51

IP(EA), eV:

 -7.97(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(3-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations