Geometry & MOs

Info

ID:	437584
PubChem CID:	135226631
Reduced:	N2O5H14C18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	542.145285
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	3.19
IP(EA), eV:	-9.91(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-di(carbazol-9-yl)thioxanthen-9-one

Drug info:

PubChemData

Smile

CC(=O)C(C#N)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations