Geometry & MOs

Info

ID:	321731
PubChem CID:	126666903
Reduced:	F3O3N6C18H23 (1)
Stoich.:	A3B3C6D18E23 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	3.51
IP(EA), eV:	-9.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1O)NC2C3C(=NNC3=NC=N2)C(=O)NCC4CC(=CC(C4F)F)F

DOS

IR

Vibrations