Geometry & MOs

Info

ID:	433838
PubChem CID:	135173981
Reduced:	F3O3N4H19C31 (1)
Stoich.:	A3B3C4D19E31 (1)
Weight, g/mol:	451.139471
ΔH_f, kcal/mol:	-102.96
Dipole, Da:	4.58
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-methylidenethioxanthen-2-yl)-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=CN=C3NC2=O)OC4=CC5=C(C=C4)O[C@@H]6[C@H]5[C@H]6C7=NC8=C(N7)C=C(C=C8)C(F)(F)F

DOS

IR

Vibrations