Geometry & MOs

Info

ID:	262988
PubChem CID:	103332855
Reduced:	BrFOSN3H11C14 (1)
Stoich.:	ABCDE3F11G14 (1)
Weight, g/mol:	320.04986
ΔH_f, kcal/mol:	4.1
Dipole, Da:	3.08
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropyridin-3-yl)oxy-N-propylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=CSC2=N1)OC3=CC(=C(C=C3)Br)F

DOS

IR

Vibrations