Geometry & MOs

Info

ID:	313718
PubChem CID:	126617321
Reduced:	ClSO3N5H16C19 (1)
Stoich.:	ABC3D5E16F19 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-15.12
Dipole, Da:	8.19
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCO)Cl

DOS

IR

Vibrations