Geometry & MOs

Info

ID:

431632

PubChem CID:

135171728

Reduced:

N3O4C22H35 (1)

Stoich.:

A3B4C22D35 (1)

Weight, g/mol:

557.22836

ΔHf, kcal/mol:

-190.05

Dipole, Da:

2.12

IP(EA), eV:

 -8.43(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 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)N

DOS

IR

Vibrations