Geometry & MOs

Info

ID:	30163
PubChem CID:	840405
Reduced:	ClON2S2H7C10 (1)
Stoich.:	ABC2D2E7F10 (1)
Weight, g/mol:	220.048407
ΔH_f, kcal/mol:	56.62
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NN=CC2=CC=C(S2)Cl

DOS

IR

Vibrations