Geometry & MOs

Info

ID:

185016

PubChem CID:

77240192

Reduced:

NaN4O4C32H34 (1)

Stoich.:

AB4C4D32E34 (1)

Weight, g/mol:

322.10123

ΔHf, kcal/mol:

-41.25

Dipole, Da:

10.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750000

Charge, e:

 0

Chem-info

IUPAC name:

2-(carboxyamino)pentanedioic acid;4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(C(=N1)C)C2=CC=C(C=C2)OCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C5NC(=O)ON5.[Na]

DOS

IR

Vibrations