Geometry & MOs

Info

ID:

127305

PubChem CID:

50997725

Reduced:

N2O3C12H13 (2)

Stoich.:

A2B3C12D13 (2)

Weight, g/mol:

535.206698

ΔHf, kcal/mol:

-185.91

Dipole, Da:

10.47

IP(EA), eV:

 -9.15(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)N2CCO[C@@H](C2=O)[C@H](C(=O)NC3=CC4=C(C=C3)C(=NC4)N)O)C(=O)O

DOS

IR

Vibrations