Geometry & MOs

Info

ID:	258400
PubChem CID:	103153440
Reduced:	SN2O5C8H14 (1)
Stoich.:	AB2C5D8E14 (1)
Weight, g/mol:	332.02337
ΔH_f, kcal/mol:	-189.4
Dipole, Da:	6.0
IP(EA), eV:	-10.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-5-cyanophenyl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C#N)S(=O)(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations