Geometry & MOs

Info

ID:

325315

PubChem CID:

126682713

Reduced:

SN3H27C41 (1)

Stoich.:

AB3C27D41 (1)

Weight, g/mol:

477.129969

ΔHf, kcal/mol:

176.11

Dipole, Da:

6.49

IP(EA), eV:

 -8.2(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-dibenzothiophen-4-yl-15-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=NC(=NC7=C6C4=CC=C7)C8=CC=CC=C8)C9=C(C=C2)C1=CC=CC=C1S9)C

DOS

IR

Vibrations