Geometry & MOs

Info

ID:	329119
PubChem CID:	126731320
Reduced:	SN4H30C41 (1)
Stoich.:	AB4C30D41 (1)
Weight, g/mol:	797.17416
ΔH_f, kcal/mol:	195.04
Dipole, Da:	3.7
IP(EA), eV:	-7.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC6=CC7=C(C=C6S5)N=C(N7C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations