Geometry & MOs

Info

ID:	258308
PubChem CID:	103152815
Reduced:	FN2O6C12H13 (1)
Stoich.:	AB2C6D12E13 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-200.67
Dipole, Da:	8.19
IP(EA), eV:	-10.42(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

DOS

IR

Vibrations