Geometry & MOs

Info

ID:	334584
PubChem CID:	127253259
Reduced:	NO9H27C29 (1)
Stoich.:	AB9C27D29 (1)
Weight, g/mol:	375.08735
ΔH_f, kcal/mol:	-273.42
Dipole, Da:	4.23
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=C(O1)C2=CC=C(C=C2)C(=O)OC)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O

DOS

IR

Vibrations