Geometry & MOs

Info

ID:

310279

PubChem CID:

126577816

Reduced:

N3H23C35 (1)

Stoich.:

A3B23C35 (1)

Weight, g/mol:

475.114319

ΔHf, kcal/mol:

186.74

Dipole, Da:

1.35

IP(EA), eV:

 -8.48(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-dibenzothiophen-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C6C(=C4)C7=NC8=CC=CC=C8N=C7N6C9=CC=CC=C95)C

DOS

IR

Vibrations