Geometry & MOs

Info

ID:	147745
PubChem CID:	53787403
Reduced:	NSO3C5H5 (1)
Stoich.:	ABC3D5E5 (1)
Weight, g/mol:	340.121178
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	5.48
IP(EA), eV:	-10.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1H-benzo[g]indol-3-yl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C=NC=CS(=O)(=O)C1=O

DOS

IR

Vibrations