Geometry & MOs

Info

ID:	393116
PubChem CID:	135019453
Reduced:	SO2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	263.056941
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	2.49
IP(EA), eV:	-8.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-3-(1,1,2,2-tetrafluoroethyl)isoindol-1-one

Drug info:

PubChemData

Smile

C1CSC[C@H](C1=O)[C@@H](C2=CC=C(C=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations