Geometry & MOs

Info

ID:	164473
PubChem CID:	74403748
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	502.256668
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	3.94
IP(EA), eV:	-7.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,8,12,16,16-pentamethyl-5,13,19-trioxo-7-(oxolan-3-yl)-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C2C3CC(C(=CN3C=CC2=C1)N4CC(CC4=O)CF)N)OC

DOS

IR

Vibrations