Geometry & MOs

Info

ID:	226318
PubChem CID:	87350404
Reduced:	FSN3O5C21H30 (1)
Stoich.:	ABC3D5E21F30 (1)
Weight, g/mol:	509.195997
ΔH_f, kcal/mol:	-218.32
Dipole, Da:	8.56
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)ON=C2CCCCN2C3=C(C=C(C=C3)S(=O)(=O)C)F

DOS

IR

Vibrations