Geometry & MOs

Info

ID:

128123

PubChem CID:

51031874

Reduced:

NiN3O4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

529.294057

ΔHf, kcal/mol:

37.0

Dipole, Da:

17.75

IP(EA), eV:

 -7.8(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-2-[[[2-[[2-[di(propan-2-yl)amino]acetyl]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(=NC1=CC=CC=C1C(=N[C@H]([C@@H](CCO)C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3)[O-])C(C)C.[Ni+2]

DOS

IR

Vibrations