Geometry & MOs

Info

ID:

378635

PubChem CID:

134224729

Reduced:

ON4H24C41 (1)

Stoich.:

AB4C24D41 (1)

Weight, g/mol:

554.156518

ΔHf, kcal/mol:

196.71

Dipole, Da:

0.94

IP(EA), eV:

 -8.36(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-thia-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC5=CC=CC=C5C=C4C6=CC7=C(C=C63)OC8=CC9=CC=CC=C9C=C87)C1=CC=CC=C1

DOS

IR

Vibrations