Geometry & MOs

Info

ID:	408415
PubChem CID:	135081181
Reduced:	O3C4N4H7 (1)
Stoich.:	A3B4C4D7 (1)
Weight, g/mol:	160.05964
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	5.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752873
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-amino-4-azido-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations