Geometry & MOs

Info

ID:

140001

PubChem CID:

52628377

Reduced:

SO2N4C26H32 (1)

Stoich.:

AB2C4D26E32 (1)

Weight, g/mol:

426.236837

ΔHf, kcal/mol:

2.54

Dipole, Da:

2.35

IP(EA), eV:

 -8.62(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(3R)-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=NC(=NO4)C)C

DOS

IR

Vibrations