Geometry & MOs

Info

ID:	437585
PubChem CID:	135226632
Reduced:	OSN2H22C37 (1)
Stoich.:	ABC2D22E37 (1)
Weight, g/mol:	694.207885
ΔH_f, kcal/mol:	137.42
Dipole, Da:	2.64
IP(EA), eV:	-8.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(4-carbazol-9-ylphenyl)thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)SC6=C(C5=O)C=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations