Geometry & MOs

Info

ID:	383431
PubChem CID:	134975152
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	395.182696
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	3.18
IP(EA), eV:	-9.64(0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-tert-butyl-2-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazol-3-ium-3-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCOC1CC2CC(=O)C1C=C2

DOS

IR

Vibrations