Geometry & MOs

Info

ID:	26643
PubChem CID:	794418
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	3.13
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C([C@H](CC(=O)N1)C2=CC=CO2)C#N

DOS

IR

Vibrations