Geometry & MOs

Info

ID:	122885
PubChem CID:	50825448
Reduced:	OSN7C26H37 (1)
Stoich.:	ABC7D26E37 (1)
Weight, g/mol:	499.272945
ΔH_f, kcal/mol:	27.11
Dipole, Da:	3.17
IP(EA), eV:	-7.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)N4CCN(CC4)C(=O)NCC(C)C)NC5CCCC5

DOS

IR

Vibrations