Geometry & MOs

Info

ID:	130907
PubChem CID:	51125841
Reduced:	BrSN3O3H16C20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	11.8
Dipole, Da:	7.44
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(1,3-thiazol-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)/C=C(/C#N)\C3=NC(=CS3)C4=CC=NC=C4.Br

DOS

IR

Vibrations