Geometry & MOs

Info

ID:	440810
PubChem CID:	135231607
Reduced:	BrOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	1086.306219
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	2.71
IP(EA), eV:	-9.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbazol-9-yl-6-[3-[4-(N-[9-oxo-6-(N-phenylanilino)thioxanthen-2-yl]anilino)phenyl]carbazol-9-yl]thioxanthen-9-one

Drug info:

PubChemData

Smile

C1CCCC(C/C=C\CC1)C(=O)CBr

DOS

IR

Vibrations