Geometry & MOs

Info

ID:	227114
PubChem CID:	87560230
Reduced:	NF4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	324.11688
ΔH_f, kcal/mol:	-320.97
Dipole, Da:	5.13
IP(EA), eV:	-9.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-diaminopentanoic acid;4,5,6-trihydroxy-2,3-dioxohexanoic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)OCC2=C(C(=CC(=C2C3=CC=CC=C3)F)C(F)(F)F)CC(=O)OC

DOS

IR

Vibrations