Geometry & MOs

Info

ID:	389222
PubChem CID:	134991679
Reduced:	AlLiO3H15C21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	323.036795
ΔH_f, kcal/mol:	-136.41
Dipole, Da:	4.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.234480
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-fluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-propyloxaziridine

Drug info:

PubChemData

Smile

[Li+].CO[Al-]1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

DOS

IR

Vibrations