Geometry & MOs

Info

ID:	76719
PubChem CID:	48425283
Reduced:	SN2O2F5C17H21 (1)
Stoich.:	AB2C2D5E17F21 (1)
Weight, g/mol:	401.192626
ΔH_f, kcal/mol:	-319.14
Dipole, Da:	5.9
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations