Geometry & MOs

Info

ID:	258401
PubChem CID:	103153442
Reduced:	ClSN2O5C12H13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	268.109293
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	7.39
IP(EA), eV:	-10.0(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylsulfamoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=C(C=CC(=C1)C#N)Cl

DOS

IR

Vibrations