Geometry & MOs

Info

ID:	325519
PubChem CID:	126683747
Reduced:	SO5N6H28C31 (1)
Stoich.:	AB5C6D28E31 (1)
Weight, g/mol:	469.120861
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	4.57
IP(EA), eV:	-8.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-phenyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=CC=C(C=C6)C(=O)N7CCC[C@H](C7)O)OC

DOS

IR

Vibrations