Geometry & MOs

Info

ID:

311989

PubChem CID:

126600433

Reduced:

ClN4O4F6H11C19 (1)

Stoich.:

AB4C4D6E11F19 (1)

Weight, g/mol:

475.096675

ΔHf, kcal/mol:

-323.51

Dipole, Da:

6.08

IP(EA), eV:

 -10.1(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]carbamic acid

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-])Cl

DOS

IR

Vibrations