Geometry & MOs

Info

ID:	313734
PubChem CID:	126617359
Reduced:	FSO2N6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	477.067381
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	5.66
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC=C(C=C5)F

DOS

IR

Vibrations