Geometry & MOs

Info

ID:	392885
PubChem CID:	135018298
Reduced:	PO2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	584.235456
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.936245
Charge, e:	1

Chem-info

IUPAC name:

[2-oxo-2-[[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]-[(1S)-1-phenylethyl]amino]ethyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CCO/C(=C\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/O

DOS

IR

Vibrations