Geometry & MOs

Info

ID:	395284
PubChem CID:	135025073
Reduced:	O3C13H16 (2)
Stoich.:	A3B13C16 (2)
Weight, g/mol:	352.188589
ΔH_f, kcal/mol:	-216.06
Dipole, Da:	2.26
IP(EA), eV:	-9.14(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-hydroxy-16-methoxy-14-(methoxymethoxy)-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC=CCCCC2=C(C(=CC(=C2)OCOC)OC)C(=O)O1)OCC3=CC=CC=C3

DOS

IR

Vibrations