Geometry & MOs

Info

ID:	25737
PubChem CID:	629816
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	326.08777
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	2.77
IP(EA), eV:	-9.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzothiazole

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCC3=CC(=C(CCC(=C1)C=N2)N=C3)C(=O)OC

DOS

IR

Vibrations