Geometry & MOs

Info

ID:	85676
PubChem CID:	49877976
Reduced:	S2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	452.17475
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	7.66
IP(EA), eV:	-8.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'Z)-1-ethyl-4'-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1'-(3-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C/4\C(=O)N(C(=S)S4)C

DOS

IR

Vibrations