Geometry & MOs

Info

ID:

324588

PubChem CID:

126677946

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

215.75

Dipole, Da:

2.47

IP(EA), eV:

 -7.95(-0.88)

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-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C=CC6=C5N(C7=CC=CC=C67)C8=CC=CC=C8)C9=C4C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations