Geometry & MOs

Info

ID:	146546
PubChem CID:	53703909
Reduced:	ClN3O6C23H24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	225.040224
ΔH_f, kcal/mol:	-180.83
Dipole, Da:	2.23
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-oxo-5-phosphonohexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)[C@H](CC2CC(=NO2)Cl)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations