Geometry & MOs

Info

ID:	142137
PubChem CID:	52987815
Reduced:	NC4O4H6 (2)
Stoich.:	AB4C4D6 (2)
Weight, g/mol:	236.100836
ΔH_f, kcal/mol:	-347.14
Dipole, Da:	4.07
IP(EA), eV:	-10.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-amino-2-[(1-carboxy-2-hydroxypropyl)amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)O)NC(CC(=O)O)(C(=O)O)N)C(=O)O

DOS

IR

Vibrations