Geometry & MOs

Info

ID:	234445
PubChem CID:	92298447
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	236.100836
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	3.37
IP(EA), eV:	-8.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-amino-4-[(1R,2R)-1-amino-1-carboxypropan-2-yl]oxy-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC2=C(C=C1)OCCC2)O)NC

DOS

IR

Vibrations