Geometry & MOs

Info

ID:	437119
PubChem CID:	135215025
Reduced:	S2N3H21C39 (1)
Stoich.:	A2B3C21D39 (1)
Weight, g/mol:	545.10204
ΔH_f, kcal/mol:	232.13
Dipole, Da:	3.9
IP(EA), eV:	-8.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)anthracen-9-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)SC8=NC9=CC=CC=C9N=C8S7)C#N

DOS

IR

Vibrations