Geometry & MOs

Info

ID:

176265

PubChem CID:

76021421

Reduced:

FNiN3O3H34C36 (1)

Stoich.:

ABC3D3E34F36 (1)

Weight, g/mol:

577.27407

ΔHf, kcal/mol:

112.45

Dipole, Da:

6.51

IP(EA), eV:

 -7.73(-3.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[2-[[1-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-(3-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCCC2C(=NC3=CC=CC=C3C(=NC(CC4=CC(=CC=C4)F)C(=O)[O-])C5=CC=CC=C5)[O-])C.[Ni+2]

DOS

IR

Vibrations