Geometry & MOs

Info

ID:	406406
PubChem CID:	135077516
Reduced:	OSiC20H22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	356.01207
ΔH_f, kcal/mol:	24.41
Dipole, Da:	2.55
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,5S,6S,6aR)-6-(butoxymethyl)-5-hydroxy-4-iodo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)/C(=C/C(C1=CC=CC=C1)O)/C#CC2=CC=CC=C2

DOS

IR

Vibrations