Geometry & MOs

Info

ID:	443905
PubChem CID:	135260344
Reduced:	FSO3N8H29C31 (1)
Stoich.:	ABC3D8E29F31 (1)
Weight, g/mol:	351.110673
ΔH_f, kcal/mol:	22.85
Dipole, Da:	4.18
IP(EA), eV:	-8.72(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-3-[(2-ethoxyphenyl)methylidene]-2-oxoindole-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C

DOS

IR

Vibrations