Geometry & MOs

Info

ID:	250869
PubChem CID:	103099629
Reduced:	ClNS2O4C11H16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	352.031827
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	2.6
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations