Geometry & MOs

Info

ID:	284313
PubChem CID:	104042845
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	369.9423
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	5.28
IP(EA), eV:	-8.68(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methyl]-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C)NCC(C)CN1C(=O)C2=C(S1(=O)=O)N=CC=C2

DOS

IR

Vibrations