Geometry & MOs

Info

ID:

324596

PubChem CID:

126677962

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

378.9

Dipole, Da:

4.16

IP(EA), eV:

 -8.11(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),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)N(C7=C6C=CC8=C7C9=CC=CC=C9O8)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations