Geometry & MOs

Info

ID:	221264
PubChem CID:	85261768
Reduced:	PSSiN3O8C22H38 (1)
Stoich.:	ABCD3E8F22G38 (1)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	-396.01
Dipole, Da:	7.58
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,9a-dimethyl-6-(4-methylpent-3-enyl)-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[g][2]benzofuran-1-yl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC1C(C(C(O1)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-])OCC

DOS

IR

Vibrations