Geometry & MOs

Info

ID:	329116
PubChem CID:	126731314
Reduced:	O2N5H33C51 (1)
Stoich.:	A2B5C33D51 (1)
Weight, g/mol:	781.197003
ΔH_f, kcal/mol:	200.77
Dipole, Da:	4.37
IP(EA), eV:	-7.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-di(phenothiazin-10-yl)-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC6=C(N5C7=CC=CC=C7)C=C8C(=C6)OC(=N8)C9=CC=C(C=C9)N1C2=CC=CC=C2OC2=CC=CC=C21

DOS

IR

Vibrations