Geometry & MOs

Info

ID:	406360
PubChem CID:	135077377
Reduced:	Cl2O2N4C11H14 (1)
Stoich.:	A2B2C4D11E14 (1)
Weight, g/mol:	370.042188
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	3.66
IP(EA), eV:	-9.04(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-2-[4-[methyl(methylamino)amino]-2-methylsulfanylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

COCCN(CCOC)C1=C(N=C(C(=N1)Cl)Cl)C#N

DOS

IR

Vibrations