Geometry & MOs

Info

ID:	314299
PubChem CID:	126621225
Reduced:	SO2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	551.127975
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	6.56
IP(EA), eV:	-10.02(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C)CS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations