Geometry & MOs

Info

ID:	262854
PubChem CID:	103323132
Reduced:	Cl2N2S2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	294.014223
ΔH_f, kcal/mol:	56.03
Dipole, Da:	4.51
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N=C(N=C2SCC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations