Geometry & MOs

Info

ID:

128124

PubChem CID:

51031875

Reduced:

N3O4C32H39 (1)

Stoich.:

A3B4C32D39 (1)

Weight, g/mol:

605.182448

ΔHf, kcal/mol:

-118.31

Dipole, Da:

1.71

IP(EA), eV:

 -8.77(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations