Geometry & MOs

Info

ID:	125883
PubChem CID:	50942052
Reduced:	FSN6H11C18 (1)
Stoich.:	ABC6D11E18 (1)
Weight, g/mol:	413.163394
ΔH_f, kcal/mol:	126.7
Dipole, Da:	3.55
IP(EA), eV:	-8.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC2=NC3=C(C=CC(=C3)C4=NNN=N4)C5=C2C=CS5

DOS

IR

Vibrations