Geometry & MOs

Info

ID:	244843
PubChem CID:	99431446
Reduced:	O2F3N4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	436.164363
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	6.82
IP(EA), eV:	-9.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-propylsulfonyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations