Geometry & MOs

Info

ID:

324717

PubChem CID:

126678203

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

734.304562

ΔHf, kcal/mol:

236.98

Dipole, Da:

4.87

IP(EA), eV:

 -7.9(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-19-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C(C=C4)OC2=CC=CC=C21

DOS

IR

Vibrations