Geometry & MOs

Info

ID:	313747
PubChem CID:	126617396
Reduced:	FSO2Cl3N5H17C25 (1)
Stoich.:	ABC2D3E5F17G25 (1)
Weight, g/mol:	542.190023
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	8.54
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCNC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl)Cl)Cl

DOS

IR

Vibrations