Geometry & MOs

Info

ID:

448701

PubChem CID:

135292863

Reduced:

N3O14C26H31 (1)

Stoich.:

A3B14C26D31 (1)

Weight, g/mol:

640.186416

ΔHf, kcal/mol:

-560.96

Dipole, Da:

5.09

IP(EA), eV:

 -9.33(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-[[[4-[dihydroxy(morpholin-4-yl)methyl]phenyl]-dihydroxymethyl]amino]-1,1-dihydroxy-3-oxoisoindol-2-yl]-2,3,3,4,4-pentahydroxy-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Smile

CNC(=O)C(CCC=O)(N1CC2=C(C1=O)C=CC=C2OCC3=CC=C(C=C3)CN4C(C(OC(C4(O)O)(O)O)(O)O)(O)O)O

DOS

IR

Vibrations