Geometry & MOs

Info

ID:	250875
PubChem CID:	103099667
Reduced:	ClNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	296.989628
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	1.69
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)C(=O)O)Cl

DOS

IR

Vibrations