Geometry & MOs

Info

ID:	313745
PubChem CID:	126617393
Reduced:	FON6H11C16 (1)
Stoich.:	ABC6D11E16 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	49.26
Dipole, Da:	4.8
IP(EA), eV:	-8.82(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[[(2S)-2-hydroxypropyl]amino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O)F

DOS

IR

Vibrations