Geometry & MOs

Info

ID:	313400
PubChem CID:	126614409
Reduced:	ON3H31C43 (1)
Stoich.:	AB3C31D43 (1)
Weight, g/mol:	595.208219
ΔH_f, kcal/mol:	162.83
Dipole, Da:	2.62
IP(EA), eV:	-8.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-diphenylpyrimidin-2-yl)-2-naphthalen-2-yl-1,2,10,11-tetrahydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1C=CC=CC1C2NC3=C(O2)C4=C(C=CC5=C4C=CC(=C5)C6=NC(=CC(=N6)C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C3

DOS

IR

Vibrations