Geometry & MOs

Info

ID:	76496
PubChem CID:	48425001
Reduced:	SO2F3N3C17H24 (1)
Stoich.:	AB2C3D3E17F24 (1)
Weight, g/mol:	382.18279
ΔH_f, kcal/mol:	-217.05
Dipole, Da:	7.78
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCC2=CC=CC=N2

DOS

IR

Vibrations