Geometry & MOs

Info

ID:	258299
PubChem CID:	103152769
Reduced:	OSN3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	3.49
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(furan-2-carbonylamino)propanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CCNCC1=CN=CS1)CN

DOS

IR

Vibrations