Geometry & MOs

Info

ID:	437596
PubChem CID:	135226643
Reduced:	N4O4C35H56 (1)
Stoich.:	A4B4C35D56 (1)
Weight, g/mol:	746.100385
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	7.45
IP(EA), eV:	-7.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C/C(=C/NCC(C)(C)CCCN(C)CCNCC(C)(C)CN/C=C\2/C=CC=C(C2=O)OC(C)C)/C1=O

DOS

IR

Vibrations