Geometry & MOs

Info

ID:	23495
PubChem CID:	604147
Reduced:	SO3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	4.04
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(S1)C)OC(C)(C)C

DOS

IR

Vibrations