Geometry & MOs

Info

ID:

325003

PubChem CID:

126679170

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

233.9

Dipole, Da:

3.71

IP(EA), eV:

 -7.95(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(4-phenylphenyl)-15-[4-(4-phenylphenyl)quinazolin-2-yl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C5C6=CC=CC=C6OC5=C4)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations