Geometry & MOs

Info

ID:	313390
PubChem CID:	126614334
Reduced:	OSN2H24C39 (1)
Stoich.:	ABC2D24E39 (1)
Weight, g/mol:	550.219118
ΔH_f, kcal/mol:	139.17
Dipole, Da:	2.52
IP(EA), eV:	-8.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(O2)C=CC4=C3C5=C(C=C4)C6=C(C=C5)C7=C(S6)C=C8C(=C7)C9=CC=CC=C9N8C1=CC=CC=C1

DOS

IR

Vibrations