Geometry & MOs

Info

ID:	442636
PubChem CID:	135253517
Reduced:	ON3H23C37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	657.223869
ΔH_f, kcal/mol:	163.55
Dipole, Da:	3.51
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=CC5=C4C6=C(C=C5)N=C(O6)C7=CC=CC=C7)C=C3)C8=CC=CC=C8

DOS

IR

Vibrations