Geometry & MOs

Info

ID:	268528
PubChem CID:	103599794
Reduced:	BrClSO2N3H11C16 (1)
Stoich.:	ABCD2E3F11G16 (1)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	56.02
Dipole, Da:	3.58
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CNC(=O)C=CC3=CSC(=C3)Br)Cl

DOS

IR

Vibrations