Geometry & MOs

Info

ID:	76699
PubChem CID:	48425261
Reduced:	N2O2S2F3C16H23 (1)
Stoich.:	A2B2C2D3E16F23 (1)
Weight, g/mol:	376.143234
ΔH_f, kcal/mol:	-220.69
Dipole, Da:	3.01
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCC2=CC=CS2

DOS

IR

Vibrations