Geometry & MOs

Info

ID:	311977
PubChem CID:	126600217
Reduced:	N3O3F6H19C22 (1)
Stoich.:	A3B3C6D19E22 (1)
Weight, g/mol:	392.134777
ΔH_f, kcal/mol:	-363.59
Dipole, Da:	5.53
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,5S)-5-(hydroxymethyl)-2-(phenylmethoxymethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(C=C1)OCC2CN(C(O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations