Geometry & MOs

Info

ID:

127304

PubChem CID:

50997724

Reduced:

N3O3C13H14 (2)

Stoich.:

A3B3C13D14 (2)

Weight, g/mol:

466.185235

ΔHf, kcal/mol:

-163.43

Dipole, Da:

7.96

IP(EA), eV:

 -8.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C(=O)C2=CC(=CC=C2)N3CCO[C@@H](C3=O)[C@H](C(=O)NC4=CC5=C(C=C4)C(=NC5)N)O

DOS

IR

Vibrations