Geometry & MOs

Info

ID:	169369
PubChem CID:	75093392
Reduced:	ClOSN3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	576.330703
ΔH_f, kcal/mol:	16.82
Dipole, Da:	9.52
IP(EA), eV:	-9.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methoxy-4-methylpentyl)-8-methyl-5,7-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-4-methylsulfanylcarbonylsulfanylbicyclo[3.3.1]non-2-en-9-one

Drug info:

PubChemData

Smile

CCS(=NC#N)(=O)CC(C)C1=CN=C(C=C1)Cl

DOS

IR

Vibrations