Geometry & MOs

Info

ID:	207990
PubChem CID:	80477144
Reduced:	BrOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	22.02
Dipole, Da:	2.23
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-3,5-dimethylpyridin-2-yl)-1-(1,3-thiazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)C2=CN=CS2)CC

DOS

IR

Vibrations