Geometry & MOs

Info

ID:	76721
PubChem CID:	48425285
Reduced:	ClSN2O2F3C17H22 (1)
Stoich.:	ABC2D2E3F17G22 (1)
Weight, g/mol:	339.176976
ΔH_f, kcal/mol:	-234.98
Dipole, Da:	6.86
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations