Geometry & MOs

Info

ID:	434849
PubChem CID:	135175822
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	392.087388
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	4.6
IP(EA), eV:	-10.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(2-fluoro-6-methoxyphenyl)-3-(2-methylpiperazin-1-yl)-[1,2]thiazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC(C)C(=O)/C=C/CNCC(=O)O

DOS

IR

Vibrations