Geometry & MOs

Info

ID:	76551
PubChem CID:	48425072
Reduced:	SO2F3N3C19H24 (1)
Stoich.:	AB2C3D3E19F24 (1)
Weight, g/mol:	405.169783
ΔH_f, kcal/mol:	-203.05
Dipole, Da:	5.09
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylsulfanylpyridin-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations