Geometry & MOs

Info

ID:	56866
PubChem CID:	22394556
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	258.055991
ΔH_f, kcal/mol:	-157.19
Dipole, Da:	5.06
IP(EA), eV:	-9.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-chloro-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

DOS

IR

Vibrations