Geometry & MOs

Info

ID:

324727

PubChem CID:

126678224

Reduced:

ON4H32C50 (1)

Stoich.:

AB4C32D50 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

228.63

Dipole, Da:

3.93

IP(EA), eV:

 -8.04(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1CC(=CC=C1C2=CC=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations