Geometry & MOs

Info

ID:	18331
PubChem CID:	539659
Reduced:	O5C29H42 (1)
Stoich.:	A5B29C42 (1)
Weight, g/mol:	470.303224
ΔH_f, kcal/mol:	-219.65
Dipole, Da:	6.07
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5',7,9,13-tetramethyl-20-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4C(=O)C=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1

DOS

IR

Vibrations