Geometry & MOs

Info

ID:

310280

PubChem CID:

126577895

Reduced:

SN3H17C32 (1)

Stoich.:

AB3C17D32 (1)

Weight, g/mol:

475.114319

ΔHf, kcal/mol:

294.25

Dipole, Da:

3.45

IP(EA), eV:

 -8.19(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-dibenzothiophen-2-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=C5C6=C7C(=CC=C6)C8=NC9=CC=CC=C9N=C8N7C5=CC=C4

DOS

IR

Vibrations