Geometry & MOs

Info

ID:	437123
PubChem CID:	135215031
Reduced:	NSH8C13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	675.155138
ΔH_f, kcal/mol:	145.23
Dipole, Da:	1.05
IP(EA), eV:	-8.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)SC5=NC6=CC=CC=C6N=C5S4

DOS

IR

Vibrations