Geometry & MOs

Info

ID:	437118
PubChem CID:	135215024
Reduced:	S2N3H15C25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	595.11769
ΔH_f, kcal/mol:	156.86
Dipole, Da:	2.17
IP(EA), eV:	-8.45(-1.24)
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]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations