Geometry & MOs

Info

ID:	213930
PubChem CID:	81065561
Reduced:	BrNS2O4C9H12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	281.093309
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	8.44
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=C(C=CS1)Br

DOS

IR

Vibrations