Geometry & MOs

Info

ID:	320990
PubChem CID:	126664357
Reduced:	ClSF3O3N4C28H34 (1)
Stoich.:	ABC3D3E4F28G34 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-214.42
Dipole, Da:	5.11
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CC2CN(C(CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@H](C4CC(C4)(F)F)C5=CC=C(C=C5)Cl)N)S(=O)(=O)C1

DOS

IR

Vibrations