Geometry & MOs

Info

ID:	250880
PubChem CID:	103099675
Reduced:	ClNS2O4C11H14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	311.005278
ΔH_f, kcal/mol:	-151.72
Dipole, Da:	8.15
IP(EA), eV:	-9.66(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-methylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCC2CC(=O)O)Cl

DOS

IR

Vibrations