Geometry & MOs

Info

ID:	15915
PubChem CID:	455103
Reduced:	NOSCl2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	334.99384
ΔH_f, kcal/mol:	2.45
Dipole, Da:	3.27
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9b-(3,4-dichlorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

Drug info:

PubChemData

Smile

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations