Geometry & MOs

Info

ID:	334559
PubChem CID:	127253234
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	468.120047
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	9.56
IP(EA), eV:	-8.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)OCC(=O)N2CCC3=C(C2)C4=CC=CC=C4N3

DOS

IR

Vibrations