Geometry & MOs

Info

ID:	869
PubChem CID:	3458
Reduced:	O7C28H34 (1)
Stoich.:	A7B28C34 (1)
Weight, g/mol:	482.230453
ΔH_f, kcal/mol:	-238.54
Dipole, Da:	7.06
IP(EA), eV:	-9.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C

DOS

IR

Vibrations