Geometry & MOs

Info

ID:	405940
PubChem CID:	135076038
Reduced:	SiO3C34H50 (1)
Stoich.:	AB3C34D50 (1)
Weight, g/mol:	342.142029
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	1.28
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 2-(4-chlorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H](O1)/C=C/C(=O)CCCCCCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations