Geometry & MOs

Info

ID:	387597
PubChem CID:	134986070
Reduced:	OPCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	226.048607
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	3.85
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(R)-[(E)-1-methylsulfanylprop-1-enyl]sulfinyl]benzene

Drug info:

PubChemData

Smile

CCO/C(=C\P(C1=CC=CC=C1)Cl)/Cl

DOS

IR

Vibrations