Geometry & MOs

Info

ID:

49811

PubChem CID:

11533866

Reduced:

ClSN2F3O5C23H24 (1)

Stoich.:

ABC2D3E5F23G24 (1)

Weight, g/mol:

533.180091

ΔHf, kcal/mol:

-339.34

Dipole, Da:

9.14

IP(EA), eV:

 -9.63(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-hydroxy-5-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CNC(=O)[C@@H](CC1C(F)(F)F)N(CC2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations