Geometry & MOs

Info

ID:	296694
PubChem CID:	117588889
Reduced:	BrSF2N3O3H12C14 (1)
Stoich.:	ABC2D3E3F12G14 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	7.78
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)O)COC2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations