Geometry & MOs

Info

ID:

431840

PubChem CID:

135171954

Reduced:

O3N4C26H34 (1)

Stoich.:

A3B4C26D34 (1)

Weight, g/mol:

647.27531

ΔHf, kcal/mol:

-74.78

Dipole, Da:

6.38

IP(EA), eV:

 -8.86(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=C3)C#N

DOS

IR

Vibrations