Geometry & MOs

Info

ID:	258319
PubChem CID:	103152869
Reduced:	NO5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	331.064507
ΔH_f, kcal/mol:	-231.93
Dipole, Da:	3.8
IP(EA), eV:	-10.17(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCOCC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations