Geometry & MOs

Info

ID:

448700

PubChem CID:

135292858

Reduced:

N4O8C25H28 (1)

Stoich.:

A4B8C25D28 (1)

Weight, g/mol:

609.180603

ΔHf, kcal/mol:

-293.74

Dipole, Da:

5.65

IP(EA), eV:

 -8.46(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-N-methyl-2-[7-[[4-[(2,2,3,3,5,5,6,6-octahydroxymorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCC4=C(C(=C(C(=C4O)O)CN5CCOCC5)O)O

DOS

IR

Vibrations