Geometry & MOs

Info

ID:

324651

PubChem CID:

126678060

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

225.58

Dipole, Da:

3.3

IP(EA), eV:

 -8.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C=CC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C=CC1=C9C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations