Geometry & MOs

Info

ID:

214844

PubChem CID:

85083734

Reduced:

FNiN3O4H31C34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

565.237685

ΔHf, kcal/mol:

-32.95

Dipole, Da:

5.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764597

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[2-[(1-benzylpyrrolidine-2-carbonyl)amino]phenyl]-phenylmethylidene]amino]-3-(2-fluorophenyl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2)C(=NC3=CC=CC=C3C(=NC(C(C4=CC=CC=C4F)O)C(=O)O)C5=CC=CC=C5)[O-].[Ni]

DOS

IR

Vibrations