Geometry & MOs

Info

ID:	380847
PubChem CID:	134971419
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	325.020322
ΔH_f, kcal/mol:	-19.44
Dipole, Da:	3.68
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-2-fluoro-3-(trifluoromethylsulfonyl)-1,3,2-oxazaborolidin-5-one

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=C(S1)C(=C)C3=C(C=C(C=C3)OC)NC2=O

DOS

IR

Vibrations