Geometry & MOs

Info

ID:	376107
PubChem CID:	134222110
Reduced:	SN2F3O3C12H15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	500.140434
ΔH_f, kcal/mol:	-229.31
Dipole, Da:	2.87
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(fluoromethyl)-5-[4-[S-(fluoromethyl)-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=CC=C(C=C1)[C@H](C(CF)NC(=O)C(F)F)O

DOS

IR

Vibrations