Geometry & MOs

Info

ID:	76709
PubChem CID:	48425272
Reduced:	SN2O2F3C19H27 (1)
Stoich.:	AB2C2D3E19F27 (1)
Weight, g/mol:	394.133812
ΔH_f, kcal/mol:	-238.28
Dipole, Da:	5.53
IP(EA), eV:	-8.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations