Geometry & MOs

Info

ID:	125884
PubChem CID:	50942053
Reduced:	SO2N7C19H23 (1)
Stoich.:	AB2C7D19E23 (1)
Weight, g/mol:	413.163394
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-amino-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=NC(=N2)N)SC(=N3)C4=CC=CC=N4

DOS

IR

Vibrations