Geometry & MOs

Info

ID:	339847
PubChem CID:	127261856
Reduced:	ClN3O4C10H20 (1)
Stoich.:	AB3C4D10E20 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-231.03
Dipole, Da:	6.05
IP(EA), eV:	-10.37(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)N.Cl

DOS

IR

Vibrations