Geometry & MOs

Info

ID:	76653
PubChem CID:	48425196
Reduced:	SF3O3N4C16H19 (1)
Stoich.:	AB3C3D4E16F19 (1)
Weight, g/mol:	419.094904
ΔH_f, kcal/mol:	-232.96
Dipole, Da:	2.53
IP(EA), eV:	-8.77(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN=C3N(C2=O)C=CS3

DOS

IR

Vibrations