Geometry & MOs

Info

ID:

324665

PubChem CID:

126678097

Reduced:

ON2H28C48 (1)

Stoich.:

AB2C28D48 (1)

Weight, g/mol:

745.230017

ΔHf, kcal/mol:

336.89

Dipole, Da:

1.44

IP(EA), eV:

 -8.04(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-thia-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)N2C3=C(C4=C2C5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)C9=CC=CC=C9C1=CC=CC=C18)C1=C(C=C3)C2=CC=CC=C2O1

DOS

IR

Vibrations