Geometry & MOs

Info

ID:

324694

PubChem CID:

126678145

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

267.89

Dipole, Da:

6.31

IP(EA), eV:

 -8.07(-1.25)

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]-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C=CC7=C6C8=CC=CC=C8O7)C9=C5C1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations