Geometry & MOs

Info

ID:	437590
PubChem CID:	135226637
Reduced:	OSN2H30C49 (1)
Stoich.:	ABC2D30E49 (1)
Weight, g/mol:	822.131686
ΔH_f, kcal/mol:	181.8
Dipole, Da:	2.64
IP(EA), eV:	-8.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[4-(5,5-dioxophenothiazin-10-yl)phenyl]thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)SC6=C(C5=O)C=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations