Geometry & MOs

Info

ID:

377245

PubChem CID:

134223289

Reduced:

N3H33C44 (1)

Stoich.:

A3B33C44 (1)

Weight, g/mol:

808.266068

ΔHf, kcal/mol:

184.89

Dipole, Da:

4.42

IP(EA), eV:

 -8.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4,6-bis(2-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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CN=CC=C9)C

DOS

IR

Vibrations