Geometry & MOs

Info

ID:	304374
PubChem CID:	124568455
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	314.11227
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	4.11
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N2CCN(CC2)CC3=CC4=C(C=C3)C=NN4

DOS

IR

Vibrations