Geometry & MOs

Info

ID:

434697

PubChem CID:

135175499

Reduced:

ClSF2N4O4H31C35 (1)

Stoich.:

ABC2D4E4F31G35 (1)

Weight, g/mol:

382.355929

ΔHf, kcal/mol:

-134.43

Dipole, Da:

6.84

IP(EA), eV:

 -9.1(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-1-(4-methoxybutyl)-2-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-2-yl]-4-methylpiperidine

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CC5=C(C4)NN=C5)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations