Geometry & MOs

Info

ID:	51404
PubChem CID:	12014063
Reduced:	SiO3C20H38 (1)
Stoich.:	AB3C20D38 (1)
Weight, g/mol:	398.285236
ΔH_f, kcal/mol:	-221.55
Dipole, Da:	4.5
IP(EA), eV:	-9.08(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R,5S,6R)-4-butyl-5-[tert-butyl(dimethyl)silyl]-2-oxo-6-propan-2-yloxan-3-yl]ethyl acetate

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H]([C@H](OC(=O)[C@@H]1C(=O)C)C(C)C)[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations