Geometry & MOs

Info

ID:	128663
PubChem CID:	51053747
Reduced:	FNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	444.01433
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	4.15
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-7-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C=C1C(=O)C3=CC=C(C=C3)F)OC)OC

DOS

IR

Vibrations