Geometry & MOs

Info

ID:

436834

PubChem CID:

135212080

Reduced:

ClN3O3C35H44 (1)

Stoich.:

AB3C3D35E44 (1)

Weight, g/mol:

452.253589

ΔHf, kcal/mol:

-130.63

Dipole, Da:

7.41

IP(EA), eV:

 -8.34(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[(1Z)-2-amino-1-hydrazinylidene-4-methyl-3H-isoindol-5-yl]methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(NC4=O)C)CC(=O)OC(C)C)N5CCC(CC5)(C)C

DOS

IR

Vibrations