Geometry & MOs

Info

ID:	244839
PubChem CID:	99431436
Reduced:	SO2F3N3C23H24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	463.154133
ΔH_f, kcal/mol:	-189.74
Dipole, Da:	2.91
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC[C@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations