Geometry & MOs

Info

ID:	125875
PubChem CID:	50941741
Reduced:	BrClON3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	306.040917
ΔH_f, kcal/mol:	57.94
Dipole, Da:	8.55
IP(EA), eV:	-9.76(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C(=O)N=C2Cl)Br)C#N

DOS

IR

Vibrations