Geometry & MOs

Info

ID:	123002
PubChem CID:	50829736
Reduced:	FSO2N6C22H29 (1)
Stoich.:	ABC2D6E22F29 (1)
Weight, g/mol:	483.27803
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	7.51
IP(EA), eV:	-8.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)F)NC(C)(C)C

DOS

IR

Vibrations