Geometry & MOs

Info

ID:	387725
PubChem CID:	134986599
Reduced:	PSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	262.106122
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	2.3
IP(EA), eV:	-8.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(E)-1-ethoxy-2-ethylhex-1-enyl] methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

CCCCS/C(=C(/C)\CC=C)/P(=O)(OC)OC

DOS

IR

Vibrations