Geometry & MOs

Info

ID:	83652
PubChem CID:	49859623
Reduced:	N2O4C5H10 (1)
Stoich.:	A2B4C5D10 (1)
Weight, g/mol:	308.158351
ΔH_f, kcal/mol:	-172.42
Dipole, Da:	4.68
IP(EA), eV:	-10.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)NCC(=O)[O-])[NH3+])O

DOS

IR

Vibrations