Geometry & MOs

Info

ID:

222065

PubChem CID:

85293742

Reduced:

N2O3C34H36 (1)

Stoich.:

A2B3C34D36 (1)

Weight, g/mol:

520.281838

ΔHf, kcal/mol:

-27.05

Dipole, Da:

6.49

IP(EA), eV:

 -8.4(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C(=O)COC3=CC=C(C=C3)C4CCNCC4OCC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations