Geometry & MOs

Info

ID:	250888
PubChem CID:	103099732
Reduced:	ClNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	351.995442
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	5.17
IP(EA), eV:	-9.1(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC(=C(S2)Cl)C)C(=O)O

DOS

IR

Vibrations