Geometry & MOs

Info

ID:	334443
PubChem CID:	127252995
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	421.129215
ΔH_f, kcal/mol:	-132.5
Dipole, Da:	2.26
IP(EA), eV:	-8.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42)O

DOS

IR

Vibrations