Geometry & MOs

Info

ID:	385067
PubChem CID:	134978247
Reduced:	PS2O5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	286.025109
ΔH_f, kcal/mol:	-260.69
Dipole, Da:	3.08
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-1,3,2lambda5-dithiaphosphinan-2-yl)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)SP(=O)(C)SC(CC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations