Geometry & MOs

Info

ID:

324574

PubChem CID:

126677922

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

218.46

Dipole, Da:

4.32

IP(EA), eV:

 -7.69(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-18-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=C4C=CC1=C9C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations