Geometry & MOs

Info

ID:	313727
PubChem CID:	126617344
Reduced:	ClFSO2N4H10C17 (1)
Stoich.:	ABCD2E4F10G17 (1)
Weight, g/mol:	516.114666
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	4.48
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-(2-morpholin-4-ylethylamino)-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=CSC=N4)Cl)F

DOS

IR

Vibrations