Geometry & MOs

Info

ID:

229284

PubChem CID:

87567328

Reduced:

ClFSN3O4C29H37 (1)

Stoich.:

ABCD3E4F29G37 (1)

Weight, g/mol:

521.284082

ΔHf, kcal/mol:

-171.87

Dipole, Da:

2.64

IP(EA), eV:

 -8.82(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CCCCN1C=CC(=N1)/C=C\2/CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations