Geometry & MOs

Info

ID:	50858
PubChem CID:	12013447
Reduced:	NO3F12C15H17 (1)
Stoich.:	AB3C12D15E17 (1)
Weight, g/mol:	285.055967
ΔH_f, kcal/mol:	-755.01
Dipole, Da:	4.81
IP(EA), eV:	-11.25(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chloropropyl)-3-ethyl-2-oxo-1,3,2-benzodiazaphosphinin-2-ium-4-one

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C(C(F)(F)F)(N1C(C(OC(C1(F)F)(F)F)(F)F)(F)F)F

DOS

IR

Vibrations