Geometry & MOs

Info

ID:

324557

PubChem CID:

126677892

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

223.57

Dipole, Da:

4.26

IP(EA), eV:

 -7.91(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-15,24-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=NC(=NC3=CC=CC=C32)N4C5=C(C6=C4C=C7C(=C6)C8=CC=CC=C8O7)C9=C(C=C5)N(C1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations