Geometry & MOs

Info

ID:	76599
PubChem CID:	48425132
Reduced:	SN2F3O4C17H23 (1)
Stoich.:	AB2C3D4E17F23 (1)
Weight, g/mol:	412.12439
ΔH_f, kcal/mol:	-308.08
Dipole, Da:	5.29
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethylsulfanyl)phenyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations