Geometry & MOs

Info

ID:

325317

PubChem CID:

126682715

Reduced:

SN3H27C41 (1)

Stoich.:

AB3C27D41 (1)

Weight, g/mol:

593.192569

ΔHf, kcal/mol:

177.12

Dipole, Da:

2.57

IP(EA), eV:

 -8.16(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-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

CC1(C2=C(C3=C1C=C(C=C3)N4C5=CC=CC6=CC(=CC(=C65)C7=CN=CN=C74)C8=CC=CC=C8)C9=C(C=C2)C1=CC=CC=C1S9)C

DOS

IR

Vibrations