Geometry & MOs

Info

ID:	226302
PubChem CID:	87350388
Reduced:	SF3N5O5C24H26 (1)
Stoich.:	AB3C5D5E24F26 (1)
Weight, g/mol:	499.211648
ΔH_f, kcal/mol:	-297.51
Dipole, Da:	1.52
IP(EA), eV:	-8.78(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)oxy-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C3C=C(C=CC3=NC=C2)C4=NC=CC(=N4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations