Geometry & MOs

Info

ID:

324693

PubChem CID:

126678144

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

254.42

Dipole, Da:

4.55

IP(EA), eV:

 -7.95(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(3-phenylphenyl)-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=CC=C(C=C8)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations