Geometry & MOs

Info

ID:	226319
PubChem CID:	87350405
Reduced:	SF3N3O3C25H30 (1)
Stoich.:	AB3C3D3E25F30 (1)
Weight, g/mol:	509.195997
ΔH_f, kcal/mol:	-221.6
Dipole, Da:	8.77
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-(cyclopentylideneamino)oxy-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN(C(=NC(=O)C2=C(C=CC(=C2)C(F)(F)F)ON=C3CCCC3)S1)C[C@H]4CCCO4

DOS

IR

Vibrations