Geometry & MOs

Info

ID:	147788
PubChem CID:	53787446
Reduced:	SF2O2N4C16H20 (1)
Stoich.:	AB2C2D4E16F20 (1)
Weight, g/mol:	448.210357
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	2.36
IP(EA), eV:	-10.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-oxo-2-(1-phenylsulfanyloct-2-enyl)-3-trimethylsilyloxycyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C(=C(CN1C=NC=N1)C2=C(C=C(C=C2)F)F)C

DOS

IR

Vibrations