Geometry & MOs

Info

ID:	334363
PubChem CID:	127252915
Reduced:	NO6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	462.155764
ΔH_f, kcal/mol:	-206.88
Dipole, Da:	10.88
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC(=C(C=C3)O)OC)CC(=O)O)C(=O)N1

DOS

IR

Vibrations