Geometry & MOs

Info

ID:	258029
PubChem CID:	103150088
Reduced:	NSF2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	296.117019
ΔH_f, kcal/mol:	-166.66
Dipole, Da:	3.4
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)SC(=N2)CCOCC(F)F

DOS

IR

Vibrations