Geometry & MOs

Info

ID:	442634
PubChem CID:	135253515
Reduced:	ON3H23C37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	617.192569
ΔH_f, kcal/mol:	162.55
Dipole, Da:	3.55
IP(EA), eV:	-8.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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=C5OC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations