Geometry & MOs

Info

ID:	244848
PubChem CID:	99431469
Reduced:	SN2F3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	452.138148
ΔH_f, kcal/mol:	-252.48
Dipole, Da:	3.97
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-methylsulfanylphenyl)-5-oxo-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations