Geometry & MOs

Info

ID:	76552
PubChem CID:	48425073
Reduced:	SO2F3N3C18H26 (1)
Stoich.:	AB2C3D3E18F26 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-228.08
Dipole, Da:	5.5
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenyl-1,3-oxazol-4-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations