Geometry & MOs

Info

ID:	250968
PubChem CID:	103100453
Reduced:	ClN2O2S2C14H21 (1)
Stoich.:	AB2C2D2E14F21 (1)
Weight, g/mol:	324.000527
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	5.34
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCNCC23CCCCC3)Cl

DOS

IR

Vibrations