Geometry & MOs

Info

ID:	334827
PubChem CID:	127253633
Reduced:	ClNSO6C20H24 (1)
Stoich.:	ABCD6E20F24 (1)
Weight, g/mol:	481.140449
ΔH_f, kcal/mol:	-220.43
Dipole, Da:	5.49
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCSCCO

DOS

IR

Vibrations