Geometry & MOs

Info

ID:	181220
PubChem CID:	76716838
Reduced:	W5C8H10 (1)
Stoich.:	A5B8C10 (1)
Weight, g/mol:	419.046199
ΔH_f, kcal/mol:	-568.61
Dipole, Da:	10.5
IP(EA), eV:	-6.99(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-2-[3-oxo-4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]morpholin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(=C(C1)C=[W])C=[W].[W].[W].[W]

DOS

IR

Vibrations