Geometry & MOs

Info

ID:	283099
PubChem CID:	103958136
Reduced:	NCl2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	296.104208
ΔH_f, kcal/mol:	-154.46
Dipole, Da:	1.13
IP(EA), eV:	-9.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)/C=C/C1=C(C=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations