Geometry & MOs

Info

ID:	50631
PubChem CID:	12013191
Reduced:	ISiO2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	334.00659
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	4.47
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aS)-6-iodo-2,2-dimethyl-5-oxo-1,3,3a,4-tetrahydropentalen-1-yl] acetate

Drug info:

PubChemData

Smile

CC1(C[C@H]2CC(=O)C(=C2[C@@H]1O[Si](C)(C)C(C)(C)C)I)C

DOS

IR

Vibrations