Geometry & MOs

Info

ID:	55444
PubChem CID:	17395404
Reduced:	FN2S2O3C16H23 (1)
Stoich.:	AB2C2D3E16F23 (1)
Weight, g/mol:	362.079256
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	3.3
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations