Geometry & MOs

Info

ID:	393999
PubChem CID:	135022145
Reduced:	BCl2F3C5H7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	323.140259
ΔH_f, kcal/mol:	-239.13
Dipole, Da:	9.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753645
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R,5R)-2,2,5-trimethyl-4-(methylsulfonyloxymethyl)-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

[B-](/C=C(/CCCCl)\Cl)(F)(F)F

DOS

IR

Vibrations