Geometry & MOs

Info

ID:	383295
PubChem CID:	134974933
Reduced:	Si2O4C33H52 (1)
Stoich.:	A2B4C33D52 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-280.88
Dipole, Da:	3.07
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-butyl-6-[(4S)-2-phenyl-1,3-dioxolan-4-yl]oxan-2-one

Drug info:

PubChemData

Smile

CCCC[C@@]1(CCCC(=O)O1)[C@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](CC)(CC)CC

DOS

IR

Vibrations