Geometry & MOs

Info

ID:	56320
PubChem CID:	17425093
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	267.069557
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	9.31
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-fluorophenyl)methylidene]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations