Geometry & MOs

Info

ID:

325019

PubChem CID:

126679259

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

248.84

Dipole, Da:

4.41

IP(EA), eV:

 -7.97(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-10-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-10,15-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

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=NC9=C(C=CC1=CC=CC=C19)C(=N8)C1=CC=CC=C1)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations