Geometry & MOs

Info

ID:	208564
PubChem CID:	80545385
Reduced:	ClO2S2N3C10H14 (1)
Stoich.:	AB2C2D3E10F14 (1)
Weight, g/mol:	285.106647
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	1.9
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2,2-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C2=CC(=NC(=N2)SC)Cl

DOS

IR

Vibrations