Geometry & MOs

Info

ID:

377235

PubChem CID:

134223279

Reduced:

ON4H30C49 (1)

Stoich.:

AB4C30D49 (1)

Weight, g/mol:

808.266068

ΔHf, kcal/mol:

231.75

Dipole, Da:

1.93

IP(EA), eV:

 -7.43(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-19-phenyl-3-thia-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3C=CC=C4C5=C6C(=CC=C5)OC7=C6C=C8C=CC=C9C8=C7N(C=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations