Geometry & MOs

Info

ID:	313730
PubChem CID:	126617352
Reduced:	O2N5H17C23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	405.089561
ΔH_f, kcal/mol:	83.37
Dipole, Da:	4.75
IP(EA), eV:	-8.97(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CN(N=C3)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations