Geometry & MOs

Info

ID:	25708
PubChem CID:	629453
Reduced:	OSC24H42 (1)
Stoich.:	ABC24D42 (1)
Weight, g/mol:	462.389538
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-5-tridecylthiophen-2-yl)dodecan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=C(C=C(S1)C(=O)CCCCC)C

DOS

IR

Vibrations