Geometry & MOs

Info

ID:	437131
PubChem CID:	135215049
Reduced:	OPN2S2H25C40 (1)
Stoich.:	ABC2D2E25F40 (1)
Weight, g/mol:	544.083293
ΔH_f, kcal/mol:	149.45
Dipole, Da:	4.77
IP(EA), eV:	-8.59(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)SC8=NC9=CC=CC=C9N=C8S7

DOS

IR

Vibrations