Geometry & MOs

Info

ID:	321699
PubChem CID:	126666820
Reduced:	ClFO4N6C19H20 (1)
Stoich.:	ABC4D6E19F20 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-123.61
Dipole, Da:	8.23
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4'Z,5'E)-4',5'-di(ethylidene)spiro[2H-1-benzofuran-3,3'-pyrrolidine]-2'-one

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)F)Cl)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4COC[C@H]([C@H]4O)O

DOS

IR

Vibrations