Geometry & MOs

Info

ID:	125888
PubChem CID:	50942108
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	474.160473
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	2.64
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-amino-2-pentyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C/C=C(/C=C)\C(=O)/C=C/C1=C(CCCC1(C)C)C

DOS

IR

Vibrations