Geometry & MOs

Info

ID:

245415

PubChem CID:

99444480

Reduced:

N3O5C23H27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

465.299142

ΔHf, kcal/mol:

-98.8

Dipole, Da:

3.53

IP(EA), eV:

 -9.0(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations