Geometry & MOs

Info

ID:	126613
PubChem CID:	50970264
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	275.084081
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	2.53
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@@H](C[C@H]1CO)NC(=O)CC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations