Geometry & MOs

Info

ID:	437586
PubChem CID:	135226633
Reduced:	OSN2H30C49 (1)
Stoich.:	ABC2D30E49 (1)
Weight, g/mol:	546.176585
ΔH_f, kcal/mol:	182.67
Dipole, Da:	2.83
IP(EA), eV:	-8.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(N-phenylanilino)thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC6=C(C=C5)SC7=C(C6=O)C=CC(=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations