Geometry & MOs

Info

ID:	80500
PubChem CID:	49834781
Reduced:	N2S2O11C19H22 (1)
Stoich.:	A2B2C11D19E22 (1)
Weight, g/mol:	378.90304
ΔH_f, kcal/mol:	-455.26
Dipole, Da:	8.62
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1C(CC(=O)NCCCC(=O)O)S(=O)(=O)O)C3=C(C(=C(C=C3)N)S(=O)(=O)O)OC2=O

DOS

IR

Vibrations