Geometry & MOs

Info

ID:	122888
PubChem CID:	50825560
Reduced:	SO2N7C25H37 (1)
Stoich.:	AB2C7D25E37 (1)
Weight, g/mol:	455.24673
ΔH_f, kcal/mol:	-19.44
Dipole, Da:	5.86
IP(EA), eV:	-7.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations