Geometry & MOs

Info

ID:

57466

PubChem CID:

22395991

Reduced:

SCl2N3O6H29C32 (1)

Stoich.:

AB2C3D6E29F32 (1)

Weight, g/mol:

493.221286

ΔHf, kcal/mol:

-161.06

Dipole, Da:

5.15

IP(EA), eV:

 -9.36(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(2-cyanophenoxy)phenyl]-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)N(C(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C(=O)C4=CC5=CC=CC=C5C=N4

DOS

IR

Vibrations