Geometry & MOs

Info

ID:	436761
PubChem CID:	135211236
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	436.188589
ΔH_f, kcal/mol:	-159.37
Dipole, Da:	2.96
IP(EA), eV:	-8.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8'-[(2R,3R)-2,4-dihydroxy-3-methoxybutoxy]spiro[cyclohexane-1,6'-naphtho[3,2-b][1]benzofuran]-11'-one

Drug info:

PubChemData

Smile

CC(CO)C(COC1=CC2=C(C=C1)OC3=C(C24CCCCC4)OC5=CC=CC=C53)O

DOS

IR

Vibrations