Geometry & MOs

Info

ID:	334311
PubChem CID:	127252863
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	557.12413
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	6.76
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[4-(2-oxochromen-3-yl)anilino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=C(C2)C4=CC=CC=C4N3

DOS

IR

Vibrations