Geometry & MOs

Info

ID:	59840
PubChem CID:	24899422
Reduced:	CoO4C20H38 (1)
Stoich.:	AB4C20D38 (1)
Weight, g/mol:	408.091056
ΔH_f, kcal/mol:	-265.68
Dipole, Da:	29.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755611
Charge, e:	0

Chem-info

IUPAC name:

N-[5-acetyl-4-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Co+2]

DOS

IR

Vibrations