Geometry & MOs

Info

ID:	258300
PubChem CID:	103152771
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	331.064507
ΔH_f, kcal/mol:	-234.35
Dipole, Da:	8.98
IP(EA), eV:	-10.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCNC(=O)C1=CC=CO1

DOS

IR

Vibrations