Geometry & MOs

Info

ID:	250901
PubChem CID:	103099822
Reduced:	ClS2N4O4C10H11 (1)
Stoich.:	AB2C4D4E10F11 (1)
Weight, g/mol:	339.000193
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	6.61
IP(EA), eV:	-9.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2=CN(N=N2)CC(=O)O)Cl

DOS

IR

Vibrations