Geometry & MOs

Info

ID:	250892
PubChem CID:	103099754
Reduced:	ClNS2O4C13H20 (1)
Stoich.:	ABC2D4E13F20 (1)
Weight, g/mol:	296.989628
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	8.4
IP(EA), eV:	-9.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCCC(C)(C)CCC(=O)O)Cl

DOS

IR

Vibrations