Geometry & MOs

Info

ID:	335110
PubChem CID:	127253916
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	441.134301
ΔH_f, kcal/mol:	-180.47
Dipole, Da:	7.54
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C2=C(C1(C)C)C=C(C(=C2)C3=C(C4=C(O3)C=C(NC4=O)C)CC(=O)O)C)(C)C

DOS

IR

Vibrations