Geometry & MOs

Info

ID:	244852
PubChem CID:	99431479
Reduced:	N2F3O4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	436.160992
ΔH_f, kcal/mol:	-290.1
Dipole, Da:	6.01
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations