Geometry & MOs

Info

ID:	76718
PubChem CID:	48425281
Reduced:	SN2F3O4C13H23 (1)
Stoich.:	AB2C3D4E13F23 (1)
Weight, g/mol:	412.12439
ΔH_f, kcal/mol:	-344.58
Dipole, Da:	3.64
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations