Geometry & MOs

Info

ID:	196923
PubChem CID:	78897749
Reduced:	NSCl2O2F3C14H16 (1)
Stoich.:	ABC2D2E3F14G16 (1)
Weight, g/mol:	416.00171
ΔH_f, kcal/mol:	-249.53
Dipole, Da:	6.53
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-methyl-N-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCOCC(F)(F)F)SC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations