Geometry & MOs

Info

ID:	334667
PubChem CID:	127253342
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	498.135778
ΔH_f, kcal/mol:	5.95
Dipole, Da:	4.56
IP(EA), eV:	-8.05(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCC3=C(C2)C4=CC=CC=C4N3)C

DOS

IR

Vibrations