Geometry & MOs

Info

ID:	17795
PubChem CID:	520035
Reduced:	O8C17H22 (1)
Stoich.:	A8B17C22 (1)
Weight, g/mol:	354.131468
ΔH_f, kcal/mol:	-292.59
Dipole, Da:	4.4
IP(EA), eV:	-10.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO

DOS

IR

Vibrations