Geometry & MOs

Info

ID:	437132
PubChem CID:	135215050
Reduced:	OPN2S2H21C32 (1)
Stoich.:	ABC2D2E21F32 (1)
Weight, g/mol:	490.142976
ΔH_f, kcal/mol:	106.62
Dipole, Da:	4.33
IP(EA), eV:	-8.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,10-phenanthrolin-5-yl)phenyl]-[1,4]benzodioxino[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)SC6=NC7=CC=CC=C7N=C6S5

DOS

IR

Vibrations