Geometry & MOs

Info

ID:	403845
PubChem CID:	135062112
Reduced:	S2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	280.185857
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	4.19
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C([C@@H](C(C)(C)C)O)[S@@](=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations