Geometry & MOs

Info

ID:

378637

PubChem CID:

134224731

Reduced:

NH9C13 (3)

Stoich.:

AB9C13 (3)

Weight, g/mol:

627.176919

ΔHf, kcal/mol:

181.38

Dipole, Da:

4.6

IP(EA), eV:

 -8.16(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(3-naphthalen-2-ylbenzo[h]quinoxalin-2-yl)-12-thia-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=NC7=CC=CC=C7C(=N6)C8=CC=CC=C8)C9=CC=CC=C9C=C5)C

DOS

IR

Vibrations