Geometry & MOs

Info

ID:

324549

PubChem CID:

126677881

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

242.99

Dipole, Da:

5.17

IP(EA), eV:

 -7.84(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-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)C4=CC=C(C=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations