Geometry & MOs

Info

ID:	149623
PubChem CID:	53789297
Reduced:	NSF2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-261.93
Dipole, Da:	5.08
IP(EA), eV:	-9.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)-[(3S)-3-(2-methylsulfanylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CCCCCCC(=O)O)CC=CC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations