Geometry & MOs

Info

ID:	313683
PubChem CID:	126617239
Reduced:	FSO3N5H16C19 (1)
Stoich.:	ABC3D5E16F19 (1)
Weight, g/mol:	463.027266
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	9.19
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenoxy)methyl]-8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCO

DOS

IR

Vibrations