Geometry & MOs

Info

ID:	140010
PubChem CID:	52629458
Reduced:	ClOSN3C23H27 (1)
Stoich.:	ABCD3E23F27 (1)
Weight, g/mol:	425.229012
ΔH_f, kcal/mol:	35.74
Dipole, Da:	3.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752335
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

DOS

IR

Vibrations