Geometry & MOs

Info

ID:

447453

PubChem CID:

135283004

Reduced:

BrCl2N2O2H15C21 (1)

Stoich.:

AB2C2D2E15F21 (1)

Weight, g/mol:

606.204526

ΔHf, kcal/mol:

-6.61

Dipole, Da:

2.59

IP(EA), eV:

 -9.76(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(4-chlorophenyl)-2-[(5-cyanopyridin-2-yl)methyl]-7-fluoro-1-hydroxy-3-oxoisoindol-5-yl]-hydroxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CO[C@@]1(C2=C(C=C(C=C2)Br)C(=O)N1CC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations