Geometry & MOs

Info

ID:	328229
PubChem CID:	126700133
Reduced:	SO3N7H17C23 (1)
Stoich.:	AB3C7D17E23 (1)
Weight, g/mol:	477.147075
ΔH_f, kcal/mol:	107.2
Dipole, Da:	0.8
IP(EA), eV:	-8.38(-1.5)
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-(oxan-4-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=NC=CN=C6)OC

DOS

IR

Vibrations