Geometry & MOs

Info

ID:	76640
PubChem CID:	48425182
Reduced:	SN2O2F4C18H24 (1)
Stoich.:	AB2C2D4E18F24 (1)
Weight, g/mol:	314.127584
ΔH_f, kcal/mol:	-274.64
Dipole, Da:	4.92
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCSC2=CC=CC=C2F

DOS

IR

Vibrations