Geometry & MOs

Info

ID:	51403
PubChem CID:	12014062
Reduced:	SiO2C19H36 (1)
Stoich.:	AB2C19D36 (1)
Weight, g/mol:	354.259022
ΔH_f, kcal/mol:	-160.35
Dipole, Da:	5.95
IP(EA), eV:	-9.19(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5S,6R)-3-acetyl-4-butyl-5-[tert-butyl(dimethyl)silyl]-6-propan-2-yloxan-2-one

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H]1CC(=O)O[C@@H]([C@H]1[Si](C)(C)C(C)(C)C)C(C)C

DOS

IR

Vibrations