Geometry & MOs

Info

ID:	437589
PubChem CID:	135226636
Reduced:	OSN2H34C49 (1)
Stoich.:	ABC2D34E49 (1)
Weight, g/mol:	694.207885
ΔH_f, kcal/mol:	177.17
Dipole, Da:	3.2
IP(EA), eV:	-8.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(9-phenylcarbazol-3-yl)thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)SC6=C(C5=O)C=CC(=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations