Geometry & MOs

Info

ID:	339814
PubChem CID:	127261823
Reduced:	N4O4C9H18 (1)
Stoich.:	A4B4C9D18 (1)
Weight, g/mol:	247.116821
ΔH_f, kcal/mol:	-160.58
Dipole, Da:	4.77
IP(EA), eV:	-9.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-aminopropanoyl]amino]oxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations