Geometry & MOs

Info

ID:	313732
PubChem CID:	126617355
Reduced:	ClFSO3N6C25H26 (1)
Stoich.:	ABCD3E6F25G26 (1)
Weight, g/mol:	419.105211
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	7.44
IP(EA), eV:	-9.07(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-8-[2-(2-hydroxypropylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1CNC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl)CCO

DOS

IR

Vibrations