Geometry & MOs

Info

ID:

128122

PubChem CID:

51031873

Reduced:

N3O4C28H31 (1)

Stoich.:

A3B4C28D31 (1)

Weight, g/mol:

585.213748

ΔHf, kcal/mol:

-86.26

Dipole, Da:

2.61

IP(EA), eV:

 -9.11(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CC=CC=C1C(=N[C@H]([C@@H](CCO)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations