Geometry & MOs

Info

ID:

128125

PubChem CID:

51031876

Reduced:

NiN3O4H33C34 (1)

Stoich.:

AB3C4D33E34 (1)

Weight, g/mol:

549.262757

ΔHf, kcal/mol:

69.22

Dipole, Da:

4.36

IP(EA), eV:

 -8.36(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-2-[[[2-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=NC2=CC=CC=C2C(=N[C@H]([C@@H](CCO)C3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4)[O-].[Ni+2]

DOS

IR

Vibrations