Geometry & MOs

Info

ID:	406519
PubChem CID:	135077952
Reduced:	ClNOSF3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	216.118171
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	3.97
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-3-trimethylsilylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)/N=C(\C1=CC=C(C=C1)Cl)/C(F)(F)F

DOS

IR

Vibrations