Geometry & MOs

Info

ID:	125293
PubChem CID:	50918830
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	364.152203
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	2.63
IP(EA), eV:	-9.47(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,7S,9R,11S,12R)-11-acetyloxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C[C@H]2[C@@](CC1)([C@@]3(C[C@H]([C@@H]([C@]34CO4)O2)O)C)CO

DOS

IR

Vibrations