Geometry & MOs

Info

ID:	76434
PubChem CID:	48424921
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	395.149047
ΔH_f, kcal/mol:	-284.81
Dipole, Da:	5.61
IP(EA), eV:	-8.71(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-3-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations