Geometry & MOs

Info

ID:	440988
PubChem CID:	135232591
Reduced:	N3C15H23 (1)
Stoich.:	A3B15C23 (1)
Weight, g/mol:	806.154529
ΔH_f, kcal/mol:	23.48
Dipole, Da:	2.17
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis[4-(5,5-dioxophenothiazin-10-yl)phenyl]xanthen-9-one

Drug info:

PubChemData

Smile

CCC(=C(CC)CN=C(C)C1=NC(=CC=C1)N)C

DOS

IR

Vibrations