Geometry & MOs

Info

ID:

314405

PubChem CID:

126621756

Reduced:

O2N3H25C46 (1)

Stoich.:

A2B3C25D46 (1)

Weight, g/mol:

489.118735

ΔHf, kcal/mol:

176.96

Dipole, Da:

3.66

IP(EA), eV:

 -8.17(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-dibenzothiophen-3-yl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C(N=C3C4=CC=CC5=C4OC6=CC=CC=C56)N7C8=CC=CC=C8C9=C7C=C1C(=C9)C=CC2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations