Geometry & MOs

Info

ID:	390510
PubChem CID:	134999497
Reduced:	F3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	291.041273
ΔH_f, kcal/mol:	-211.84
Dipole, Da:	2.7
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(4,5-dimethyl-1,1-dioxo-1,2-thiazol-3-yl)oxy]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OO[C@@H](CC(=O)C(F)(F)F)C1=CC=CC=C1

DOS

IR

Vibrations