Geometry & MOs

Info

ID:	190291
PubChem CID:	77981381
Reduced:	OSCl2F3N4H17C18 (1)
Stoich.:	ABC2D3E4F17G18 (1)
Weight, g/mol:	464.069687
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	2.24
IP(EA), eV:	-9.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-chloro-4-fluorophenyl)-2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N-(1-methoxypropan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C=CC1C(N=C2N1N=C(S2)C(F)(F)F)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations