Geometry & MOs

Info

ID:

324703

PubChem CID:

126678161

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

224.12

Dipole, Da:

2.68

IP(EA), eV:

 -8.18(-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]-25-phenyl-10-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations