Geometry & MOs

Info

ID:	149643
PubChem CID:	53789317
Reduced:	N3O6C13H19 (1)
Stoich.:	A3B6C13D19 (1)
Weight, g/mol:	295.105587
ΔH_f, kcal/mol:	-219.09
Dipole, Da:	3.68
IP(EA), eV:	-10.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-methylphenoxy)acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=NN1C[C@@H]2[C@@H]([C@@H]3C(O2)OC(O3)(C)C)O

DOS

IR

Vibrations