Geometry & MOs

Info

ID:	22668
PubChem CID:	598320
Reduced:	SO2C26H46 (1)
Stoich.:	AB2C26D46 (1)
Weight, g/mol:	422.321852
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	3.34
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-5-nonadecylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC1=C(C=C(S1)C(=O)OC)C

DOS

IR

Vibrations