Geometry & MOs

Info

ID:	392257
PubChem CID:	135013937
Reduced:	SiO6C22H42 (1)
Stoich.:	AB6C22D42 (1)
Weight, g/mol:	382.00659
ΔH_f, kcal/mol:	-382.37
Dipole, Da:	5.67
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR,9aS)-5-iodo-6-phenyl-3a,4,6a,7,8,9-hexahydrocyclopenta[h][1,3]benzodioxol-2-one

Drug info:

PubChemData

Smile

CC1C(CCC(C(C[C@H](C1=O)C(=O)OC(C)(C)C)O)(C)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations