Geometry & MOs

Info

ID:

314291

PubChem CID:

126621161

Reduced:

N4O4F7H11C19 (1)

Stoich.:

A4B4C7D11E19 (1)

Weight, g/mol:

466.143959

ΔHf, kcal/mol:

-359.31

Dipole, Da:

5.92

IP(EA), eV:

 -10.1(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2R,5S)-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations