Geometry & MOs

Info

ID:	76562
PubChem CID:	48425086
Reduced:	SN2O2F3C16H29 (1)
Stoich.:	AB2C2D3E16F29 (1)
Weight, g/mol:	356.174534
ΔH_f, kcal/mol:	-277.11
Dipole, Da:	4.51
IP(EA), eV:	-8.8(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations