Geometry & MOs

Info

ID:	27900
PubChem CID:	824079
Reduced:	ClOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	29.63
Dipole, Da:	6.28
IP(EA), eV:	-9.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methyl-2-nitrophenoxy)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CN=CC=C3)Cl

DOS

IR

Vibrations