Geometry & MOs

Info

ID:	442640
PubChem CID:	135253525
Reduced:	SN3H27C43 (1)
Stoich.:	AB3C27D43 (1)
Weight, g/mol:	779.239519
ΔH_f, kcal/mol:	220.64
Dipole, Da:	1.17
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C5)C=CC7=C6N=C(S7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations