Geometry & MOs

Info

ID:	50652
PubChem CID:	12013217
Reduced:	SiS2O7C29H58 (1)
Stoich.:	AB2C7D29E58 (1)
Weight, g/mol:	440.38656
ΔH_f, kcal/mol:	-433.61
Dipole, Da:	2.94
IP(EA), eV:	-8.32(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-dodecoxy-5-oxopentan-2-yl] decanoate

Drug info:

PubChemData

Smile

C[C@H](CC1(SCCCS1)C(C)C)[C@@H]([C@H](C(=O)O[C@@H](C[C@@H](C(C)C)O)C(C)C)OCOCCO[Si](C)(C)C)OC

DOS

IR

Vibrations