Geometry & MOs

Info

ID:	334413
PubChem CID:	127252965
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	417.097915
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	4.42
IP(EA), eV:	-8.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCO)OC

DOS

IR

Vibrations