Geometry & MOs

Info

ID:	162211
PubChem CID:	57393951
Reduced:	ClN2O2F3C20H24 (1)
Stoich.:	AB2C2D3E20F24 (1)
Weight, g/mol:	380.102666
ΔH_f, kcal/mol:	-239.52
Dipole, Da:	3.81
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3.Cl

DOS

IR

Vibrations