Geometry & MOs

Info

ID:	419614
PubChem CID:	135108549
Reduced:	NO2F6C16H17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-393.5
Dipole, Da:	3.68
IP(EA), eV:	-9.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-acetylphenyl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations