Geometry & MOs

Info

ID:	190289
PubChem CID:	77981379
Reduced:	ClOSF3N4H16C17 (1)
Stoich.:	ABCD3E4F16G17 (1)
Weight, g/mol:	448.074773
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	6.32
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C=CC1C(N=C2N1N=C(S2)C(F)(F)F)C3=CC=CC=C3Cl

DOS

IR

Vibrations