Geometry & MOs

Info

ID:	313725
PubChem CID:	126617341
Reduced:	ClFO2N5H11C18 (1)
Stoich.:	ABC2D5E11F18 (1)
Weight, g/mol:	459.093202
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	2.93
IP(EA), eV:	-9.54(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=NC=CN=C4)Cl)F

DOS

IR

Vibrations