Geometry & MOs

Info

ID:	211910
PubChem CID:	81058799
Reduced:	Br2N2O2C11H18 (1)
Stoich.:	A2B2C2D11E18 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	2.27
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)sulfamoyl]propanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(CN)C1=CC(=C(O1)Br)Br

DOS

IR

Vibrations