Geometry & MOs

Info

ID:

447372

PubChem CID:

135282363

Reduced:

ClF3N3O3C19H21 (1)

Stoich.:

AB3C3D3E19F21 (1)

Weight, g/mol:

576.193961

ΔHf, kcal/mol:

-256.87

Dipole, Da:

4.64

IP(EA), eV:

 -9.71(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-4-fluoro-3-[(1-hydroxycyclopropyl)methoxy]-6-[1-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-[(5-methylpyridin-2-yl)methyl]isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=NC(=NC=C2)Cl)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations