Geometry & MOs

Info

ID:	76612
PubChem CID:	48425146
Reduced:	SF3N3O4C13H24 (1)
Stoich.:	AB3C3D4E13F24 (1)
Weight, g/mol:	409.164697
ΔH_f, kcal/mol:	-344.11
Dipole, Da:	3.4
IP(EA), eV:	-8.89(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations