Geometry & MOs

Info

ID:	392244
PubChem CID:	135013841
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	542.17132
ΔH_f, kcal/mol:	42.49
Dipole, Da:	5.41
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-iodo-4-methoxy-6,6-dimethyl-1,7-bis(3-methylbut-2-enyl)-3-trimethylsilylbicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

C=C(C(=O)N1CCCC1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations