Geometry & MOs

Info

ID:	80760
PubChem CID:	49836657
Reduced:	SiO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	308.02733
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	3.01
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aS)-5-iodo-4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)O[C@H]1CCC(=O)[C]2[C]1[CH][CH][CH][CH]2

DOS

IR

Vibrations