Geometry & MOs

Info

ID:	313689
PubChem CID:	126617270
Reduced:	SF2O3N5H15C19 (1)
Stoich.:	AB2C3D5E15F19 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	8.22
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1C(=O)N=C(N2)COC3=CC(=CC(=C3)F)F)C4=CSC(=N4)NCCO

DOS

IR

Vibrations