Geometry & MOs

Info

ID:

324721

PubChem CID:

126678214

Reduced:

ON5H31C45 (1)

Stoich.:

AB5C31D45 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

199.88

Dipole, Da:

4.09

IP(EA), eV:

 -8.09(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)N3C4=C(C5=C3C=C6C7=CC=CC=C7OC6=C5)C8=C(C=C4)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations