Geometry & MOs

Info

ID:

310281

PubChem CID:

126577897

Reduced:

SN3H17C32 (1)

Stoich.:

AB3C17D32 (1)

Weight, g/mol:

623.210996

ΔHf, kcal/mol:

203.65

Dipole, Da:

1.75

IP(EA), eV:

 -8.37(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=CC=CC5=C4N6C7=C5C=CC=C7C8=NC9=CC=CC=C9N=C86

DOS

IR

Vibrations