Geometry & MOs

Info

ID:	57700
PubChem CID:	24262986
Reduced:	NSO5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	249.01295
ΔH_f, kcal/mol:	-202.97
Dipole, Da:	8.68
IP(EA), eV:	-9.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)C)OC

DOS

IR

Vibrations