Geometry & MOs

Info

ID:	313694
PubChem CID:	126617296
Reduced:	SO3N4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	463.167811
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	5.9
IP(EA), eV:	-9.28(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O

DOS

IR

Vibrations