Geometry & MOs

Info

ID:	147854
PubChem CID:	53787512
Reduced:	ClFS2N3O4C19H21 (1)
Stoich.:	ABC2D3E4F19G21 (1)
Weight, g/mol:	275.094629
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	2.77
IP(EA), eV:	-9.22(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydronaphthalen-1-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(COC)OC(=O)CC(=S)C1=CC(=C(C=C1Cl)F)N=C2N3CCCCN3C(=O)S2

DOS

IR

Vibrations