Geometry & MOs

Info

ID:

324577

PubChem CID:

126677925

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

194.65

Dipole, Da:

3.98

IP(EA), eV:

 -8.07(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-26-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)N3C4=C(C=C5C(=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8=C3C9=C(C=C8)OC1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations