Geometry & MOs

Info

ID:	59143
PubChem CID:	24771198
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	420.178418
ΔH_f, kcal/mol:	30.21
Dipole, Da:	6.41
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-methylperoxy-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)C2C3=C(C=C(N3)C4=CC=NC=C4)C(=O)N2

DOS

IR

Vibrations