Geometry & MOs

Info

ID:	280126
PubChem CID:	103847050
Reduced:	SO2N4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	327.99934
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	2.42
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC1=C(C=CN=C1)C#N

DOS

IR

Vibrations