Geometry & MOs

Info

ID:	437134
PubChem CID:	135215052
Reduced:	PN2O3H21C32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	422.065989
ΔH_f, kcal/mol:	45.35
Dipole, Da:	3.94
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC5=C(C=C4)OC6=NC7=CC=CC=C7N=C6O5

DOS

IR

Vibrations