Geometry & MOs

Info

ID:	10893
PubChem CID:	108721
Reduced:	ClSN5C14H24 (1)
Stoich.:	ABC5D14E24 (1)
Weight, g/mol:	329.144095
ΔH_f, kcal/mol:	14.97
Dipole, Da:	5.17
IP(EA), eV:	-8.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

DOS

IR

Vibrations