Geometry & MOs

Info

ID:	76642
PubChem CID:	48425184
Reduced:	SN2O2F3C17H25 (1)
Stoich.:	AB2C2D3E17F25 (1)
Weight, g/mol:	365.138483
ΔH_f, kcal/mol:	-239.7
Dipole, Da:	7.32
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations