Geometry & MOs

Info

ID:	122889
PubChem CID:	50825599
Reduced:	OSN7C23H33 (1)
Stoich.:	ABC7D23E33 (1)
Weight, g/mol:	441.23108
ΔH_f, kcal/mol:	28.98
Dipole, Da:	6.7
IP(EA), eV:	-8.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)N1CCN(CC1)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4C)NC(C)(C)C

DOS

IR

Vibrations