Geometry & MOs

Info

ID:	208563
PubChem CID:	80545378
Reduced:	ClSN3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	307.021597
ΔH_f, kcal/mol:	9.83
Dipole, Da:	6.27
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC(=N1)SC)Cl

DOS

IR

Vibrations