Geometry & MOs

Info

ID:

325316

PubChem CID:

126682714

Reduced:

SN3H19C32 (1)

Stoich.:

AB3C19D32 (1)

Weight, g/mol:

593.192569

ΔHf, kcal/mol:

165.32

Dipole, Da:

5.91

IP(EA), eV:

 -8.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-15-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C(=CC=C3)N(C5=CC=CC=C5C4=N2)C6=CC=CC7=C6SC8=CC=CC=C78

DOS

IR

Vibrations