Geometry & MOs

Info

ID:	53494
PubChem CID:	14716367
Reduced:	ClSN3O3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	239.142248
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	3.65
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-prop-2-enyl-3-prop-2-enyliminoisoindol-1-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC)C2=C1C=CC(=C2)Cl.CS(=O)(=O)O

DOS

IR

Vibrations