Geometry & MOs

Info

ID:	437117
PubChem CID:	135215021
Reduced:	ON2H13C22 (2)
Stoich.:	AB2C13D22 (2)
Weight, g/mol:	421.07074
ΔH_f, kcal/mol:	188.92
Dipole, Da:	3.7
IP(EA), eV:	-8.57(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-phenylpyridin-2-yl)-[1,4]benzodithiino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC(=CC(=C4)C5=CN=CC=C5)C6=CN=CC=C6)C7=CC8=C(C=C7)OC9=NC1=CC=CC=C1N=C9O8

DOS

IR

Vibrations