Geometry & MOs

Info

ID:	76724
PubChem CID:	48425289
Reduced:	F3N3O4C15H22 (1)
Stoich.:	A3B3C4D15E22 (1)
Weight, g/mol:	419.149047
ΔH_f, kcal/mol:	-337.69
Dipole, Da:	2.06
IP(EA), eV:	-8.84(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations