Geometry & MOs

Info

ID:	437384
PubChem CID:	135226193
Reduced:	NF2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	854.121515
ΔH_f, kcal/mol:	-131.24
Dipole, Da:	3.79
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis[4-(5,5-dioxophenothiazin-10-yl)phenyl]-10,10-dioxothioxanthen-9-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(C(=CC=C2)NC(=O)[C@@H]3CC(C=C3C(=O)C)F)F

DOS

IR

Vibrations