Geometry & MOs

Info

ID:	228191
PubChem CID:	87563636
Reduced:	Cl2O2F3N3C33H35 (1)
Stoich.:	A2B2C3D3E33F35 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	-162.17
Dipole, Da:	7.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753529
Charge, e:	0

Chem-info

IUPAC name:

5-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[N+](C1CCN(CC1)CC2=CC=CC=C2)([C@@H](CC3=CC=C(C=C3)C(F)(F)F)C(=O)N)C(=O)C4(CC4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations