Geometry & MOs

Info

ID:	219230
PubChem CID:	85096625
Reduced:	ClSO4N6C19H23 (1)
Stoich.:	ABC4D6E19F23 (1)
Weight, g/mol:	468.287574
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	2.75
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(2,5-dimethoxy-3-methylphenyl)-4-methyl-2-oxohex-4-enyl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane-2,4-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(S2)C(=O)NC(CNC(=O)C(=O)NC3=NC=C(C=C3)Cl)COC

DOS

IR

Vibrations