Geometry & MOs

Info

ID:	388951
PubChem CID:	134990727
Reduced:	O6C29H34 (1)
Stoich.:	A6B29C34 (1)
Weight, g/mol:	568.07467
ΔH_f, kcal/mol:	-190.84
Dipole, Da:	2.01
IP(EA), eV:	-9.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4S,5S,6S,6aR)-6-iodo-2-oxo-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CCOC1C(C(C(O1)[C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations