Geometry & MOs

Info

ID:

447424

PubChem CID:

135282772

Reduced:

FCl2N3O3C28H28 (1)

Stoich.:

AB2C3D3E28F28 (1)

Weight, g/mol:

614.186289

ΔHf, kcal/mol:

-111.87

Dipole, Da:

5.47

IP(EA), eV:

 -9.02(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropyl]methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C1CCNCC1)(C2=CC3=C(C(=C2)F)C(N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations