Geometry & MOs

Info

ID:	313406
PubChem CID:	126614475
Reduced:	SN3H37C46 (1)
Stoich.:	AB3C37D46 (1)
Weight, g/mol:	619.208219
ΔH_f, kcal/mol:	169.1
Dipole, Da:	2.56
IP(EA), eV:	-8.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4NC5=C(S4)C=CC6=C5C7=C(C=C6)C=C(C=C7)C8NC(C=C(N8)C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations