Geometry & MOs

Info

ID:	190292
PubChem CID:	77981382
Reduced:	ClSO2F4N4H17C18 (1)
Stoich.:	ABC2D4E4F17G18 (1)
Weight, g/mol:	434.059123
ΔH_f, kcal/mol:	-196.92
Dipole, Da:	4.71
IP(EA), eV:	-9.48(-1.3)
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-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations