Geometry & MOs

Info

ID:	360919
PubChem CID:	127301740
Reduced:	ClSO3N4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	350.093643
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	5.77
IP(EA), eV:	-9.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CN(N=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations