Geometry & MOs

Info

ID:	401043
PubChem CID:	135049900
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	415.163799
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	0.97
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-4-(3-methoxy-3-oxopropyl)-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1=C(C(C(=C)O1)C)C(=O)OCC

DOS

IR

Vibrations