Geometry & MOs

Info

ID:	442638
PubChem CID:	135253520
Reduced:	OSN3H25C43 (1)
Stoich.:	ABC3D25E43 (1)
Weight, g/mol:	647.14899
ΔH_f, kcal/mol:	192.74
Dipole, Da:	1.29
IP(EA), eV:	-8.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C5=C(C=C4)C=CC6=C5N=C(O6)C7=CC=CC8=C7SC9=CC=CC=C89)C1=CC=CC=C1

DOS

IR

Vibrations