Geometry & MOs

Info

ID:

231257

PubChem CID:

87573237

Reduced:

OCl2N2F6H16C18 (1)

Stoich.:

AB2C2D6E16F18 (1)

Weight, g/mol:

569.267683

ΔHf, kcal/mol:

-330.83

Dipole, Da:

4.86

IP(EA), eV:

 -9.71(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(4S)-4-[3-fluoro-2-(2-fluoro-5-methylphenyl)phenyl]-4-hydroxy-4-[1-[4-(methylamino)butanoyl]piperidin-3-yl]butyl]acetamide

Drug info:

PubChemData

Smile

C1CC1(CN)COC2=CC(=C(N=C2)Cl)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

DOS

IR

Vibrations