Geometry & MOs

Info

ID:	76645
PubChem CID:	48425187
Reduced:	N2F3O3C15H21 (1)
Stoich.:	A2B3C3D15E21 (1)
Weight, g/mol:	383.149047
ΔH_f, kcal/mol:	-263.35
Dipole, Da:	1.33
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations