Geometry & MOs

Info

ID:	382293
PubChem CID:	134973355
Reduced:	SiO4C26H38 (1)
Stoich.:	AB4C26D38 (1)
Weight, g/mol:	210.107836
ΔH_f, kcal/mol:	-220.45
Dipole, Da:	3.13
IP(EA), eV:	-9.16(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-2,2,6-trimethyl-4a,5,8,8a-tetrahydro-3H-thiochromen-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations