Geometry & MOs

Info

ID:

325047

PubChem CID:

126679385

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

217.77

Dipole, Da:

1.64

IP(EA), eV:

 -8.05(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-24-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C4)C9=CC=CC=C9N8C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations