Geometry & MOs

Info

ID:	144461
PubChem CID:	53372438
Reduced:	SO2F4N6H20C27 (1)
Stoich.:	AB2C4D6E20F27 (1)
Weight, g/mol:	366.0796
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	9.9
IP(EA), eV:	-9.72(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)NCCC4=CN=CC=C4)F)C5=CC(=C(N=C5)C#N)C(F)(F)F

DOS

IR

Vibrations