Geometry & MOs

Info

ID:	437122
PubChem CID:	135215030
Reduced:	O2N4H26C47 (1)
Stoich.:	A2B4C26D47 (1)
Weight, g/mol:	420.075491
ΔH_f, kcal/mol:	212.55
Dipole, Da:	3.68
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenylphenyl)-[1,4]benzodithiino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC8=C(C=C7)OC9=NC1=CC=CC=C1N=C9O8)C1=C2C=C(C=C1)C#N

DOS

IR

Vibrations