Geometry & MOs

Info

ID:

448699

PubChem CID:

135292856

Reduced:

N3O16C26H33 (1)

Stoich.:

A3B16C26D33 (1)

Weight, g/mol:

512.190714

ΔHf, kcal/mol:

-601.95

Dipole, Da:

3.07

IP(EA), eV:

 -8.53(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-oxo-7-[[2,3,5,6-tetrahydroxy-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CNC(=O)C(C(C(C=O)(O)O)(O)O)N1C/C(=C(/O)\OCC2=C(C(=C(C(=C2O)O)CN3CCOCC3)O)O)/C(=C(\C(=C)O)/O)/C1=O

DOS

IR

Vibrations