Geometry & MOs

Info

ID:	244851
PubChem CID:	99431473
Reduced:	SN2F3O3H17C19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	436.160992
ΔH_f, kcal/mol:	-208.85
Dipole, Da:	3.96
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=CC=CO2)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations