Geometry & MOs

Info

ID:	210993
PubChem CID:	80882019
Reduced:	OS2N7C11H17 (1)
Stoich.:	AB2C7D11E17 (1)
Weight, g/mol:	386.99023
ΔH_f, kcal/mol:	65.4
Dipole, Da:	3.29
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(4-iodophenoxy)-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NC)SC2=NN=C(S2)N(C)C

DOS

IR

Vibrations