Geometry & MOs

Info

ID:

128142

PubChem CID:

51032472

Reduced:

N3O4C34H35 (1)

Stoich.:

A3B4C34D35 (1)

Weight, g/mol:

681.213748

ΔHf, kcal/mol:

-61.97

Dipole, Da:

7.27

IP(EA), eV:

 -9.0(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[[[2-[[2-(dibenzylamino)-1-oxidoethylidene]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoate;nickel(2+)

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C(=N[C@@H]([C@@H](CCO)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations