Geometry & MOs

Info

ID:	246882
PubChem CID:	103065357
Reduced:	SF3N4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	210.093918
ΔH_f, kcal/mol:	-140.81
Dipole, Da:	3.23
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)NC2CCSC2)C(F)(F)F

DOS

IR

Vibrations