Geometry & MOs

Info

ID:	393681
PubChem CID:	135021469
Reduced:	NSO5H29C32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	438.086113
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	7.01
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenyl-3-phenylsulfanylpropan-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CS[C@H](C2=CC=CC=C2)[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations