Geometry & MOs

Info

ID:	232068
PubChem CID:	87575366
Reduced:	S2O5C9H12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	471.146407
ΔH_f, kcal/mol:	-200.58
Dipole, Da:	8.51
IP(EA), eV:	-9.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)S(=O)(=O)OS(=O)(=O)C)C

DOS

IR

Vibrations