Geometry & MOs

Info

ID:

127300

PubChem CID:

50997539

Reduced:

O3F5N6H23C29 (1)

Stoich.:

A3B5C6D23E29 (1)

Weight, g/mol:

480.200885

ΔHf, kcal/mol:

-190.42

Dipole, Da:

7.78

IP(EA), eV:

 -9.29(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=NN=C(C=C2)C(C(=O)OCC)N3C=C4C(=NC(=N4)C5=C(C(=CC=C5)F)F)N=C3)C(F)(F)F

DOS

IR

Vibrations