Geometry & MOs

Info

ID:

324792

PubChem CID:

126678354

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

257.83

Dipole, Da:

3.78

IP(EA), eV:

 -7.92(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-24-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=CC=C1)C1=C(C=C6)C2=CC=CC=C2O1

DOS

IR

Vibrations