Geometry & MOs

Info

ID:	407949
PubChem CID:	135080704
Reduced:	NO5C6H10 (1)
Stoich.:	AB5C6D10 (1)
Weight, g/mol:	177.063722
ΔH_f, kcal/mol:	-213.33
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752738
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-amino-3-hydroxy-5-methoxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]([C@H](C(=O)[O-])N)O

DOS

IR

Vibrations