Geometry & MOs

Info

ID:	251116
PubChem CID:	103101596
Reduced:	SCl2N2O5C11H12 (1)
Stoich.:	AB2C2D5E11F12 (1)
Weight, g/mol:	316.072907
ΔH_f, kcal/mol:	-198.39
Dipole, Da:	5.39
IP(EA), eV:	-9.95(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-amino-2-oxoethyl)-ethylsulfamoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl

DOS

IR

Vibrations