Geometry & MOs

Info

ID:	224430
PubChem CID:	85342808
Reduced:	IO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	446.303224
ΔH_f, kcal/mol:	-148.14
Dipole, Da:	3.83
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,18-triol

Drug info:

PubChemData

Smile

CC(C=CI)C(COC(=O)C(C)(C)C)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations