Geometry & MOs

Info

ID:	442639
PubChem CID:	135253523
Reduced:	S2N3H25C43 (1)
Stoich.:	A2B3C25D43 (1)
Weight, g/mol:	617.192569
ΔH_f, kcal/mol:	226.67
Dipole, Da:	2.06
IP(EA), eV:	-8.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(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=C5N=C(S6)C7=CC=CC=C7)C8=CC=CC9=C8SC1=CC=CC=C91

DOS

IR

Vibrations