Geometry & MOs

Info

ID:

184970

PubChem CID:

77236144

Reduced:

N2O3C26H30 (1)

Stoich.:

A2B3C26D30 (1)

Weight, g/mol:

838.483391

ΔHf, kcal/mol:

-75.26

Dipole, Da:

4.65

IP(EA), eV:

 -8.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-methylpentanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-amino-3-phenylpropanoic acid;2,6-diaminohexanoic acid;2,5-diaminopentanoic acid;pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCCC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC5(CCCCC5)C(=O)O4

DOS

IR

Vibrations