Geometry & MOs

Info

ID:

128118

PubChem CID:

51031869

Reduced:

NO2C11H13 (3)

Stoich.:

AB2C11D13 (3)

Weight, g/mol:

629.203578

ΔHf, kcal/mol:

-173.33

Dipole, Da:

4.47

IP(EA), eV:

 -8.47(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-(2,4-dimethoxyphenyl)-5-hydroxy-2-[[[2-[(1-oxido-2-piperidin-1-ylethylidene)amino]phenyl]-phenylmethylidene]amino]pentanoate;nickel(2+)

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)[C@H](CCO)[C@H](C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3NC(=O)CN4CCCCC4

DOS

IR

Vibrations