Geometry & MOs

Info

ID:	122887
PubChem CID:	50825550
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	499.272945
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	2.08
IP(EA), eV:	-8.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C)N3CCC(CC3)C(=O)NCC4CCCO4

DOS

IR

Vibrations