Geometry & MOs

Info

ID:

324571

PubChem CID:

126677915

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

253.87

Dipole, Da:

4.86

IP(EA), eV:

 -7.8(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C=CC6=C5C7=CC=CC=C7N6C8=CC=C(C=C8)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations