Geometry & MOs

Info

ID:

324730

PubChem CID:

126678233

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

242.7

Dipole, Da:

4.35

IP(EA), eV:

 -8.02(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-24-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C=CC1=C7OC2=CC=CC=C12

DOS

IR

Vibrations