Geometry & MOs

Info

ID:	22666
PubChem CID:	598313
Reduced:	SO2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	338.227952
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	3.28
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-5-tridecylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=C(C=C(S1)C(=O)OC)C

DOS

IR

Vibrations