Geometry & MOs

Info

ID:	30063
PubChem CID:	839398
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	269.043656
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitropyridin-2-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=N2)Cl

DOS

IR

Vibrations