Geometry & MOs

Info

ID:	50541
PubChem CID:	12013087
Reduced:	PSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	274.079253
ΔH_f, kcal/mol:	-202.55
Dipole, Da:	1.32
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diethoxyphosphorylsulfanylmethyl)-3-methylbenzene

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)SCC1=CC=CC=C1C

DOS

IR

Vibrations