Geometry & MOs

Info

ID:	388227
PubChem CID:	134988551
Reduced:	SeO2F3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	249.154035
ΔH_f, kcal/mol:	-226.66
Dipole, Da:	4.53
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3,3-difluoro-1-[(2S)-1-hydroxybutan-2-yl]-4-pentylazetidin-2-one

Drug info:

PubChemData

Smile

CC(C(C)[Se]C1=CC=CC=C1)OC(=O)C(F)(F)F

DOS

IR

Vibrations