Geometry & MOs

Info

ID:	20975
PubChem CID:	586520
Reduced:	ClSN3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	311.028396
ΔH_f, kcal/mol:	122.66
Dipole, Da:	5.63
IP(EA), eV:	-8.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations