Geometry & MOs

Info

ID:	232187
PubChem CID:	87575665
Reduced:	NNiO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	457.130757
ΔH_f, kcal/mol:	142.41
Dipole, Da:	7.16
IP(EA), eV:	-8.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][CH-][CH-]1.C1=CC=C(C(=C1)[C-]2C=CC=C2)[N+](=O)[O-].[Ni]

DOS

IR

Vibrations