Geometry & MOs

Info

ID:

324657

PubChem CID:

126678076

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

652.226312

ΔHf, kcal/mol:

218.8

Dipole, Da:

3.51

IP(EA), eV:

 -7.95(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC9=C1C(=C8)C=CC=C1C1=CC=CC=C19)C1=C(C=C7)OC2=CC=CC=C21

DOS

IR

Vibrations