Geometry & MOs

Info

ID:	8443
PubChem CID:	77700
Reduced:	ClNPSO3C11H13 (1)
Stoich.:	ABCDE3F11G13 (1)
Weight, g/mol:	305.004229
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	5.56
IP(EA), eV:	-9.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[chloromethyl(ethoxy)phosphinothioyl]oxy-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCOP(=S)(CCl)OC1=C(C=C(C=C1)C#N)OC

DOS

IR

Vibrations