Geometry & MOs

Info

ID:	313733
PubChem CID:	126617358
Reduced:	SO3N5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	466.158723
ΔH_f, kcal/mol:	14.32
Dipole, Da:	9.18
IP(EA), eV:	-8.9(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)C4=CC5=CC=CC=C5O4)O

DOS

IR

Vibrations