Geometry & MOs

Info

ID:

324793

PubChem CID:

126678358

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

251.04

Dipole, Da:

3.5

IP(EA), eV:

 -7.98(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-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)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations