Geometry & MOs

Info

ID:	313682
PubChem CID:	126617221
Reduced:	ON2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	413.095789
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	3.39
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](CC2=CC3=CC=CC=C3C=C2)N)C(C)C

DOS

IR

Vibrations