Geometry & MOs

Info

ID:	244838
PubChem CID:	99431425
Reduced:	F3N3O3C22H22 (1)
Stoich.:	A3B3C3D22E22 (1)
Weight, g/mol:	463.154133
ΔH_f, kcal/mol:	-235.62
Dipole, Da:	6.68
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1,3-benzothiazol-2-yl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)CCNC(=O)C2=CNC3=CC=CC=C32)(C(F)(F)F)O

DOS

IR

Vibrations