Geometry & MOs

Info

ID:

324706

PubChem CID:

126678167

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

214.57

Dipole, Da:

1.87

IP(EA), eV:

 -7.72(-0.92)

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]-26-phenyl-10-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C=C6C(=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=C4C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations