Geometry & MOs

Info

ID:	283097
PubChem CID:	103958122
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	5.79
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations