Geometry & MOs

Info

ID:

431785

PubChem CID:

135171891

Reduced:

N3O4C24H39 (1)

Stoich.:

A3B4C24D39 (1)

Weight, g/mol:

585.25966

ΔHf, kcal/mol:

-207.31

Dipole, Da:

3.27

IP(EA), eV:

 -8.31(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 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

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)OC(C)C)N

DOS

IR

Vibrations