Geometry & MOs

Info

ID:	325527
PubChem CID:	126683779
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	596.184189
ΔH_f, kcal/mol:	-170.03
Dipole, Da:	4.72
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-[(3R)-oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1OC2CCCCO2)C3=NC=CC(=N3)C(=O)OC(C)(C)C

DOS

IR

Vibrations