Geometry & MOs

Info

ID:

431649

PubChem CID:

135171745

Reduced:

N2O3C21H34 (1)

Stoich.:

A2B3C21D34 (1)

Weight, g/mol:

599.27531

ΔHf, kcal/mol:

-71.49

Dipole, Da:

5.76

IP(EA), eV:

 -8.43(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(2R)-4-methoxy-4-oxobutan-2-yl]-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)(C)COC)[N+](=O)[O-]

DOS

IR

Vibrations